3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C15H18ClN3O — CID 62038357

IUPAC3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H18ClN3O/c1-11-14(10-18-19-11)6-3-7-17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyGYEJKHGCEMJCBJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.82
Rot. Bonds6

About 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 62038357) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID62038357
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H18ClN3O/c1-11-14(10-18-19-11)6-3-7-17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyGYEJKHGCEMJCBJ-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
2-(dimethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 62039632
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 62038357) is 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1[nH]ncc1CCCNC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is GYEJKHGCEMJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-14(10-18-19-11)6-3-7-17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 291.78 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 62038357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).