1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide

C17H26N6O — CID 45180830

IUPAC1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCC2CCCCC2)nn1)c1cnn(C)c1
InChIInChI=1S/C17H26N6O/c1-13(15-10-18-22(2)11-15)19-17(24)16-12-23(21-20-16)9-8-14-6-4-3-5-7-14/h10-14H,3-9H2,1-2H3,(H,19,24)
InChIKeyDNOZFBCHJWYUHY-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.47
Rot. Bonds6

About 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide

1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide (PubChem CID 45180830) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
PubChem CID45180830
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCC2CCCCC2)nn1)c1cnn(C)c1
InChIInChI=1S/C17H26N6O/c1-13(15-10-18-22(2)11-15)19-17(24)16-12-23(21-20-16)9-8-14-6-4-3-5-7-14/h10-14H,3-9H2,1-2H3,(H,19,24)
InChIKeyDNOZFBCHJWYUHY-UHFFFAOYSA-N
XLogP2.47
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1H-pyrazole-4-carboxamide
CID 71452496
N-(1-((1-(cyclohexylmethyl)-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132220116
4-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 46986417
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277
1-(2-aminoethyl)-N-[(1-propyl-1H-pyrazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70771814
N-(1-((1-(cyclobutylmethyl)-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132220137
N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70757272
1-({(2S,4S)-4-Fluoro-1-[(1-methyl-1H-pyrazol-4-YL)carbonyl]tetrahydro-1H-pyrrol-2-YL}methyl)-N-isopropyl-1H-1,2,3-triazole-4-carboxamide
CID 137902216

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide (CID 45180830) is 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide is CC(NC(=O)c1cn(CCC2CCCCC2)nn1)c1cnn(C)c1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The InChIKey is DNOZFBCHJWYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(15-10-18-22(2)11-15)19-17(24)16-12-23(21-20-16)9-8-14-6-4-3-5-7-14/h10-14H,3-9H2,1-2H3,(H,19,24).
What are the key properties of 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 45180830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).