4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane

C21H26F3N5O2 — CID 166528731

IUPAC4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
SMILESCC1CCCC1.Cn1nc(C2CC2)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C15H14F3N5O2.C6H12/c1-23-12(10(15(16,17)18)11(22-23)7-2-3-7)14(25)21-8-4-5-20-9(6-8)13(19)24;1-6-4-2-3-5-6/h4-7H,2-3H2,1H3,(H2,19,24)(H,20,21,25);6H,2-5H2,1H3
InChIKeyINYHFLYCFZUVQC-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.26
Rot. Bonds4

About 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane

4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane (PubChem CID 166528731) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane.

Molecular Properties

Compound Name4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
PubChem CID166528731
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
SMILESCC1CCCC1.Cn1nc(C2CC2)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C15H14F3N5O2.C6H12/c1-23-12(10(15(16,17)18)11(22-23)7-2-3-7)14(25)21-8-4-5-20-9(6-8)13(19)24;1-6-4-2-3-5-6/h4-7H,2-3H2,1H3,(H2,19,24)(H,20,21,25);6H,2-5H2,1H3
InChIKeyINYHFLYCFZUVQC-UHFFFAOYSA-N
XLogP4.26
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-1-methyl-N-(2-methylsulfanyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide;oxolane
CID 166528777
4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528561
4-[[3-cyclopropyl-1-[(2,2-difluorocyclobutyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylic acid
CID 167334374
4-[1-[3-cyclopropyl-1-(oxolan-3-ylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenylamino]pyridine-2-carboxamide
CID 166528504
4-[[3-methyl-1-[(3,3,4,4-tetrafluorocyclopentyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528852
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-(2-dimethylphosphoryl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772329
3-cyclopropyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-1-(spiro[3.3]heptan-3-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800484
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772175
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528645
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595

Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane?
The IUPAC name of 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane (CID 166528731) is 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane.
What is the SMILES notation for 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane?
The canonical SMILES for 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane is CC1CCCC1.Cn1nc(C2CC2)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane?
The InChIKey is INYHFLYCFZUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2.C6H12/c1-23-12(10(15(16,17)18)11(22-23)7-2-3-7)14(25)21-8-4-5-20-9(6-8)13(19)24;1-6-4-2-3-5-6/h4-7H,2-3H2,1H3,(H2,19,24)(H,20,21,25);6H,2-5H2,1H3.
What are the key properties of 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane?
4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane has a molecular weight of 437.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane is sourced from PubChem (CID 166528731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).