5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide

C18H18F5N5O2 — CID 172751835

IUPAC5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2cncc(C(N)=O)c2)c1C(F)(F)F
InChIInChI=1S/C18H18F5N5O2/c1-9-13(18(21,22)23)14(28(27-9)8-10-2-3-17(19,20)5-10)16(30)26-12-4-11(15(24)29)6-25-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H2,24,29)(H,26,30)
InChIKeyKMBMCLYJKWEIRL-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.39
Rot. Bonds5

About 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide

5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide (PubChem CID 172751835) has the molecular formula C18H18F5N5O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
PubChem CID172751835
Molecular FormulaC18H18F5N5O2
Molecular Weight431.37 g/mol
Exact Mass431.14
IUPAC Name5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2cncc(C(N)=O)c2)c1C(F)(F)F
InChIInChI=1S/C18H18F5N5O2/c1-9-13(18(21,22)23)14(28(27-9)8-10-2-3-17(19,20)5-10)16(30)26-12-4-11(15(24)29)6-25-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H2,24,29)(H,26,30)
InChIKeyKMBMCLYJKWEIRL-UHFFFAOYSA-N
XLogP3.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
CID 166528496
2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide
CID 166528850
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(2-methylsulfonyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239583
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528645
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334327
methyl 4-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylpyridine-2-carboxylate
CID 166528486
2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 175828619
1-[(4,4-difluorocyclohexyl)methyl]-N-[(E,1Z)-1-hydrazinylidene-4-methylsulfonylbut-2-en-2-yl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528634
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
N-(3-aminosulfanylphenyl)-1-[(4,4-difluorocyclohexyl)methyl]-4-(difluoromethyl)-3-methylpyrazole-5-carboxamide
CID 166528879
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide (CID 172751835) is 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide is Cc1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2cncc(C(N)=O)c2)c1C(F)(F)F.
What is the InChIKey of 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide?
The InChIKey is KMBMCLYJKWEIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N5O2/c1-9-13(18(21,22)23)14(28(27-9)8-10-2-3-17(19,20)5-10)16(30)26-12-4-11(15(24)29)6-25-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H2,24,29)(H,26,30).
What are the key properties of 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide?
5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide has a molecular weight of 431.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 172751835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).