3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide

C17H18FN5O — CID 89464138

IUPAC3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1CCCC(F)C1n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C17H18FN5O/c18-14-8-4-5-11(9-19)15(14)23-10-13(16(20)24)17(22-23)21-12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8H2,(H2,20,24)(H,21,22)
InChIKeySBQJZAIAHGAQCW-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.93
Rot. Bonds4

About 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide

3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide (PubChem CID 89464138) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide
PubChem CID89464138
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1CCCC(F)C1n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C17H18FN5O/c18-14-8-4-5-11(9-19)15(14)23-10-13(16(20)24)17(22-23)21-12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8H2,(H2,20,24)(H,21,22)
InChIKeySBQJZAIAHGAQCW-UHFFFAOYSA-N
XLogP2.93
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-anilino-1-[(1R,6R)-2-cyano-6-hydroxycyclohexyl]pyrazole-4-carboxamide
CID 90369491
3-anilino-1-[(1S,2R,3R)-2-cyano-3-hydroxycyclohexyl]pyrazole-4-carboxamide
CID 89471370
3-anilino-1-[(1S,2S,5S)-2-cyano-5-hydroxycyclohexyl]pyrazole-4-carboxamide
CID 89471374
3-anilino-1-(6-cyanocyclohex-3-en-1-yl)pyrazole-4-carboxamide
CID 89464668
3-anilino-1-[(3S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471137
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
(3S,4S)-4-(3-anilino-4-carbamoylpyrazol-1-yl)-3-cyanopiperidine-1-carboxylic acid
CID 121480566
1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862
(3R,4S)-2-benzyl-3-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-4-cyanopiperidine-1-carboxylic acid
CID 90343483
3-anilino-1-[(7S,8S)-8-cyano-1,4-dioxaspiro[4.5]decan-7-yl]pyrazole-4-carboxamide
CID 89471265
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
3-anilino-1-[(1S,2R,3S)-3-hydroxy-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 152964021

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide (CID 89464138) is 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide is N#CC1CCCC(F)C1n1cc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide?
The InChIKey is SBQJZAIAHGAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-14-8-4-5-11(9-19)15(14)23-10-13(16(20)24)17(22-23)21-12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8H2,(H2,20,24)(H,21,22).
What are the key properties of 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide?
3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(2-cyano-6-fluorocyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 89464138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).