1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide

C26H29N3O2 — CID 16925628

IUPAC1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H29N3O2/c30-25(27-17-16-21-10-4-1-5-11-21)24-19-29(18-22-12-6-2-7-13-22)28-26(24)31-20-23-14-8-3-9-15-23/h2-3,6-10,12-15,19H,1,4-5,11,16-18,20H2,(H,27,30)
InChIKeyPZQAGUZHFAFYSG-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.13
Rot. Bonds9

About 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide

1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925628) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925628
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H29N3O2/c30-25(27-17-16-21-10-4-1-5-11-21)24-19-29(18-22-12-6-2-7-13-22)28-26(24)31-20-23-14-8-3-9-15-23/h2-3,6-10,12-15,19H,1,4-5,11,16-18,20H2,(H,27,30)
InChIKeyPZQAGUZHFAFYSG-UHFFFAOYSA-N
XLogP5.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxamide
CID 5151631
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2-[2-(cyclohexen-1-yl)ethylamino]-4-(cyclohexylmethylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 45488985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide (CID 16925628) is 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide is O=C(NCCC1=CCCCC1)c1cn(Cc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is PZQAGUZHFAFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(27-17-16-21-10-4-1-5-11-21)24-19-29(18-22-12-6-2-7-13-22)28-26(24)31-20-23-14-8-3-9-15-23/h2-3,6-10,12-15,19H,1,4-5,11,16-18,20H2,(H,27,30).
What are the key properties of 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide?
1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).