N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H16F5N3O — CID 112817204

IUPACN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C21H16F5N3O/c22-14-5-3-4-13(10-14)12-28(15-8-9-15)20(30)16-11-27-29(19(16)21(24,25)26)18-7-2-1-6-17(18)23/h1-7,10-11,15H,8-9,12H2
InChIKeyKONZVCLBSGCVRO-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.97
Rot. Bonds5

About N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112817204) has the molecular formula C21H16F5N3O and a molecular weight of 421.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112817204
Molecular FormulaC21H16F5N3O
Molecular Weight421.37 g/mol
Exact Mass421.12
IUPAC NameN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C21H16F5N3O/c22-14-5-3-4-13(10-14)12-28(15-8-9-15)20(30)16-11-27-29(19(16)21(24,25)26)18-7-2-1-6-17(18)23/h1-7,10-11,15H,8-9,12H2
InChIKeyKONZVCLBSGCVRO-UHFFFAOYSA-N
XLogP4.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 55583089
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 112813928
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119617660
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55761477
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112817204) is N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KONZVCLBSGCVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N3O/c22-14-5-3-4-13(10-14)12-28(15-8-9-15)20(30)16-11-27-29(19(16)21(24,25)26)18-7-2-1-6-17(18)23/h1-7,10-11,15H,8-9,12H2.
What are the key properties of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112817204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).