1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide

C18H19N7O — CID 89463355

IUPAC1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
SMILESCc1cc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)cnc1C#N
InChIInChI=1S/C18H19N7O/c1-11-6-13(9-22-15(11)8-20)23-18-14(17(21)26)10-25(24-18)16-5-3-2-4-12(16)7-19/h6,9-10,12,16H,2-5H2,1H3,(H2,21,26)(H,23,24)
InChIKeyJLXIQWBEEXOOKJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide

1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide (PubChem CID 89463355) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
PubChem CID89463355
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
SMILESCc1cc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)cnc1C#N
InChIInChI=1S/C18H19N7O/c1-11-6-13(9-22-15(11)8-20)23-18-14(17(21)26)10-25(24-18)16-5-3-2-4-12(16)7-19/h6,9-10,12,16H,2-5H2,1H3,(H2,21,26)(H,23,24)
InChIKeyJLXIQWBEEXOOKJ-UHFFFAOYSA-N
XLogP2.56
TPSA133.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862
N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide
CID 89464244
1-[(1R,2R)-2-cyanocyclohexyl]-3-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 134142644
1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
CID 130285533
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(2-methylpropylsulfonyl)anilino]pyrazole-4-carboxamide
CID 152989344
1-[(2S)-2-cyanocyclohexyl]-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 90367200
1-(2-cyanocyclohexyl)-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 89464190
1-[(1R,2R)-2-cyanocyclopentyl]-3-[(2-hydroxy-3H-1,2-benzoxaborol-6-yl)amino]pyrazole-4-carboxamide
CID 175521148
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 90369664
1-(2-cyanocyclohexyl)-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 89464013

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide (CID 89463355) is 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide is Cc1cc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)cnc1C#N.
What is the InChIKey of 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide?
The InChIKey is JLXIQWBEEXOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11-6-13(9-22-15(11)8-20)23-18-14(17(21)26)10-25(24-18)16-5-3-2-4-12(16)7-19/h6,9-10,12,16H,2-5H2,1H3,(H2,21,26)(H,23,24).
What are the key properties of 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide?
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 89463355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).