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

C17H26N6O — CID 42342013

IUPAC1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
SMILESC[C@@H](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)/t13-/m1/s1
InChIKeyDNOZFBCHJWYUHY-CYBMUJFWSA-N
MW330.44 g/mol
LogP2.47
Rot. Bonds6

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

1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide (PubChem CID 42342013) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
PubChem CID42342013
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide
SMILESC[C@@H](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)/t13-/m1/s1
InChIKeyDNOZFBCHJWYUHY-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide (CID 42342013) is 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide is C[C@@H](NC(=O)c1cn(CCC2CCCCC2)nn1)c1cnn(C)c1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
The InChIKey is DNOZFBCHJWYUHY-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of 1-(2-cyclohexylethyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide?
1-(2-cyclohexylethyl)-N-[(1R)-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-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 42342013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).