1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide

C20H22N4O2 — CID 17435310

IUPAC1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H22N4O2/c1-26-12-6-11-22-20(25)18-15-24(14-16-7-3-2-4-8-16)23-19(18)17-9-5-10-21-13-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,22,25)
InChIKeyASCXPRFKSADWPT-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.76
Rot. Bonds8

About 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide

1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 17435310) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID17435310
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C20H22N4O2/c1-26-12-6-11-22-20(25)18-15-24(14-16-7-3-2-4-8-16)23-19(18)17-9-5-10-21-13-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,22,25)
InChIKeyASCXPRFKSADWPT-UHFFFAOYSA-N
XLogP2.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]prop-2-enamide
CID 55532927
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(2R)-1-methoxypropan-2-yl]prop-2-enamide
CID 52892746
1-benzyl-3-phenyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]pyrazole-4-carboxamide
CID 96504113
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide (CID 17435310) is 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide is COCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is ASCXPRFKSADWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-12-6-11-22-20(25)18-15-24(14-16-7-3-2-4-8-16)23-19(18)17-9-5-10-21-13-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17435310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).