3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

C14H17N3O — CID 19332230

IUPAC3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-12-5-2-6-13(11-12)14(18)15-7-3-9-17-10-4-8-16-17/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,18)
InChIKeyOJPYCVNYYCLKLP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds5

About 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 19332230) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID19332230
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-12-5-2-6-13(11-12)14(18)15-7-3-9-17-10-4-8-16-17/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,18)
InChIKeyOJPYCVNYYCLKLP-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393533
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (CID 19332230) is 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is OJPYCVNYYCLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12-5-2-6-13(11-12)14(18)15-7-3-9-17-10-4-8-16-17/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 19332230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).