5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide

C22H29N3O2 — CID 71824590

IUPAC5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-15-27-19-11-9-18(10-12-19)21-20(16-24-25-21)22(26)23-14-13-17-7-5-4-6-8-17/h7,9-12,16H,2-6,8,13-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyWUKOBTCLCXCDNI-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.88
Rot. Bonds9

About 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide

5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824590) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID71824590
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-15-27-19-11-9-18(10-12-19)21-20(16-24-25-21)22(26)23-14-13-17-7-5-4-6-8-17/h7,9-12,16H,2-6,8,13-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyWUKOBTCLCXCDNI-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824584
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63101773
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55953672
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 71824590) is 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide is CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WUKOBTCLCXCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-15-27-19-11-9-18(10-12-19)21-20(16-24-25-21)22(26)23-14-13-17-7-5-4-6-8-17/h7,9-12,16H,2-6,8,13-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide?
5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).