5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C21H16F5N3O — CID 55609641

IUPAC5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C21H16F5N3O/c22-15-6-12(7-16(23)9-15)10-27-20(30)18-11-28-29(19(18)13-4-5-13)17-3-1-2-14(8-17)21(24,25)26/h1-3,6-9,11,13H,4-5,10H2,(H,27,30)
InChIKeyNUWRBRXVRYHHRV-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.98
Rot. Bonds5

About 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55609641) has the molecular formula C21H16F5N3O and a molecular weight of 421.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID55609641
Molecular FormulaC21H16F5N3O
Molecular Weight421.37 g/mol
Exact Mass421.12
IUPAC Name5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C21H16F5N3O/c22-15-6-12(7-16(23)9-15)10-27-20(30)18-11-28-29(19(18)13-4-5-13)17-3-1-2-14(8-17)21(24,25)26/h1-3,6-9,11,13H,4-5,10H2,(H,27,30)
InChIKeyNUWRBRXVRYHHRV-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987
5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119460053
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55606693
5-cyclopropyl-N-(3-pyrazol-1-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55765982
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52850985

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55609641) is 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NUWRBRXVRYHHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N3O/c22-15-6-12(7-16(23)9-15)10-27-20(30)18-11-28-29(19(18)13-4-5-13)17-3-1-2-14(8-17)21(24,25)26/h1-3,6-9,11,13H,4-5,10H2,(H,27,30).
What are the key properties of 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55609641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).