4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide

C21H26N4O3 — CID 24816612

IUPAC4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-4-5-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)16-6-8-18(28-2)9-7-16/h3,6-10,13,17H,1,4-5,11-12,14-15H2,2H3,(H,23,27)
InChIKeyOXOLTWGLNVZOLL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.27
Rot. Bonds7

About 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide

4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 24816612) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID24816612
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-4-5-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)16-6-8-18(28-2)9-7-16/h3,6-10,13,17H,1,4-5,11-12,14-15H2,2H3,(H,23,27)
InChIKeyOXOLTWGLNVZOLL-UHFFFAOYSA-N
XLogP3.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237929
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
ethyl 5-[(4-methoxybenzoyl)amino]-1-{2-[(4-methoxybenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 12005146
N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide (CID 24816612) is 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide is C=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is OXOLTWGLNVZOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-4-5-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)16-6-8-18(28-2)9-7-16/h3,6-10,13,17H,1,4-5,11-12,14-15H2,2H3,(H,23,27).
What are the key properties of 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 24816612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).