Cas no 1001735-28-9 (3-Tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine)
1001735-28-9 structure
Product Name:3-Tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine
CAS No:1001735-28-9
MF:C15H21N3
MW:243.347343206406
CID:2123277
Update Time:2023-08-04
3-Tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- 3-tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine
- VBUHSAKKRTZGBX-UHFFFAOYSA-N
- 5-tert-butyl-2-(2-ethyl-phenyl)-2H-pyrazol-3-ylamine
- 3-Tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine
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- Inchi： 1S/C15H21N3/c1-5-11-8-6-7-9-12(11)18-14(16)10-13(17-18)15(2,3)4/h6-10H,5,16H2,1-4H3
- InChI Key： VBUHSAKKRTZGBX-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2CC)C(=CC(C(C)(C)C)=N1)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 271
- Topological Polar Surface Area: 43.8
3-Tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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