2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H33ClN4O — CID 45232442

IUPAC2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H33ClN4O/c1-18(2)7-6-8-19(3)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-4-5-10-22(21)25/h4-5,7,9-11,14,19-20H,6,8,12-13,15-17H2,1-3H3,(H,27,30)
InChIKeyCVEJESBCASOLGW-UHFFFAOYSA-N
MW429.01 g/mol
LogP5.81
Rot. Bonds8

About 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 45232442) has the molecular formula C24H33ClN4O and a molecular weight of 429.01 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID45232442
Molecular FormulaC24H33ClN4O
Molecular Weight429.01 g/mol
Exact Mass428.23
IUPAC Name2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H33ClN4O/c1-18(2)7-6-8-19(3)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-4-5-10-22(21)25/h4-5,7,9-11,14,19-20H,6,8,12-13,15-17H2,1-3H3,(H,27,30)
InChIKeyCVEJESBCASOLGW-UHFFFAOYSA-N
XLogP5.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.01
LogP ≤ 55.81
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

2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340
N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 56749459
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
CID 126775005
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16564536
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 45232442) is 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide is CC(C)=CCCC(C)CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is CVEJESBCASOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O/c1-18(2)7-6-8-19(3)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-4-5-10-22(21)25/h4-5,7,9-11,14,19-20H,6,8,12-13,15-17H2,1-3H3,(H,27,30).
What are the key properties of 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 429.01 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 45232442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).