1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide

C23H40N6O2 — CID 71069075

IUPAC1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide
SMILESCCC(C)CC(CC)C(C)NC(=O)c1cnn(CCN=[N+]=[N-])c1OCC1CCCCC1
InChIInChI=1S/C23H40N6O2/c1-5-17(3)14-20(6-2)18(4)27-22(30)21-15-26-29(13-12-25-28-24)23(21)31-16-19-10-8-7-9-11-19/h15,17-20H,5-14,16H2,1-4H3,(H,27,30)
InChIKeyAZYBEXGJGWGEHC-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.73
Rot. Bonds13

About 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide

1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide (PubChem CID 71069075) has the molecular formula C23H40N6O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide
PubChem CID71069075
Molecular FormulaC23H40N6O2
Molecular Weight432.61 g/mol
Exact Mass432.32
IUPAC Name1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide
SMILESCCC(C)CC(CC)C(C)NC(=O)c1cnn(CCN=[N+]=[N-])c1OCC1CCCCC1
InChIInChI=1S/C23H40N6O2/c1-5-17(3)14-20(6-2)18(4)27-22(30)21-15-26-29(13-12-25-28-24)23(21)31-16-19-10-8-7-9-11-19/h15,17-20H,5-14,16H2,1-4H3,(H,27,30)
InChIKeyAZYBEXGJGWGEHC-UHFFFAOYSA-N
XLogP5.73
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[2-[5-(cyclohexylmethoxy)-4-[(3-ethyl-5-methyloctan-3-yl)carbamoyl]pyrazol-1-yl]ethylamino]cyclohexane-1-carboxylic acid
CID 71069021
tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 71069077
5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide
CID 70990915
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]ethyl]pyrazole-4-carboxamide;hydrochloride
CID 159778466
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-(2-oxopiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 161207797
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-[[1-[2-(dimethylamino)ethyl]-2,3-dihydrotetrazol-5-yl]sulfanyl]ethyl]pyrazole-4-carboxamide
CID 118486469
5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 97180466
N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide
CID 118486457
5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid
CID 97180463
(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
methyl 1-(2-azidoethyl)indazole-4-carboxylate
CID 129300487

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide (CID 71069075) is 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide is CCC(C)CC(CC)C(C)NC(=O)c1cnn(CCN=[N+]=[N-])c1OCC1CCCCC1.
What is the InChIKey of 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide?
The InChIKey is AZYBEXGJGWGEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6O2/c1-5-17(3)14-20(6-2)18(4)27-22(30)21-15-26-29(13-12-25-28-24)23(21)31-16-19-10-8-7-9-11-19/h15,17-20H,5-14,16H2,1-4H3,(H,27,30).
What are the key properties of 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide?
1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-5-(cyclohexylmethoxy)-N-(3-ethyl-5-methylheptan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 71069075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).