1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide

C16H18N6O — CID 123527862

IUPAC1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
SMILESN#CC1CCCCC1n1cc(C(N)=O)c(Nc2cccnc2)n1
InChIInChI=1S/C16H18N6O/c17-8-11-4-1-2-6-14(11)22-10-13(15(18)23)16(21-22)20-12-5-3-7-19-9-12/h3,5,7,9-11,14H,1-2,4,6H2,(H2,18,23)(H,20,21)
InChIKeyLKYNANZZQLYXKR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide

1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide (PubChem CID 123527862) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
PubChem CID123527862
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
SMILESN#CC1CCCCC1n1cc(C(N)=O)c(Nc2cccnc2)n1
InChIInChI=1S/C16H18N6O/c17-8-11-4-1-2-6-14(11)22-10-13(15(18)23)16(21-22)20-12-5-3-7-19-9-12/h3,5,7,9-11,14H,1-2,4,6H2,(H2,18,23)(H,20,21)
InChIKeyLKYNANZZQLYXKR-UHFFFAOYSA-N
XLogP2.38
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S,2S)-2-cyanocyclohexyl]-3-[(5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 90355888
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 90369664
1-[(1R,2R)-2-cyanocyclohexyl]-3-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 134142644
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
3-anilino-1-[(1S,2S,5S)-2-cyano-5-hydroxycyclohexyl]pyrazole-4-carboxamide
CID 89471374
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
3-anilino-1-[(3S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471137
3-anilino-1-[(1R,6R)-2-cyano-6-hydroxycyclohexyl]pyrazole-4-carboxamide
CID 90369491
(3S,4S)-4-(3-anilino-4-carbamoylpyrazol-1-yl)-3-cyanopiperidine-1-carboxylic acid
CID 121480566
3-anilino-1-(6-cyanocyclohex-3-en-1-yl)pyrazole-4-carboxamide
CID 89464668
1-(2-cyanocyclohexyl)-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 89464190

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide (CID 123527862) is 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide is N#CC1CCCCC1n1cc(C(N)=O)c(Nc2cccnc2)n1.
What is the InChIKey of 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide?
The InChIKey is LKYNANZZQLYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-8-11-4-1-2-6-14(11)22-10-13(15(18)23)16(21-22)20-12-5-3-7-19-9-12/h3,5,7,9-11,14H,1-2,4,6H2,(H2,18,23)(H,20,21).
What are the key properties of 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide?
1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 123527862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).