N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C18H24N4O — CID 77082758

IUPACN-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2cccnc2)C2CCCCC2)cnn1C
InChIInChI=1S/C18H24N4O/c1-14-17(12-20-21(14)2)18(23)22(16-8-4-3-5-9-16)13-15-7-6-10-19-11-15/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3
InChIKeyNCGMUEIEEOUVFS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.10
Rot. Bonds4

About N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 77082758) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID77082758
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2cccnc2)C2CCCCC2)cnn1C
InChIInChI=1S/C18H24N4O/c1-14-17(12-20-21(14)2)18(23)22(16-8-4-3-5-9-16)13-15-7-6-10-19-11-15/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3
InChIKeyNCGMUEIEEOUVFS-UHFFFAOYSA-N
XLogP3.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
N-(3-aminopropyl)-N-cyclohexyl-1,5-dimethylpyrazole-4-carboxamide
CID 43319374
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118779766
N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172663149
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 39543853
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 77082758) is N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(Cc2cccnc2)C2CCCCC2)cnn1C.
What is the InChIKey of N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is NCGMUEIEEOUVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-17(12-20-21(14)2)18(23)22(16-8-4-3-5-9-16)13-15-7-6-10-19-11-15/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 77082758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).