5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C15H18ClN3O — CID 115532278

IUPAC5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H18ClN3O/c1-10-5-6-13(16)8-14(10)15(20)17-7-3-4-12-9-18-19-11(12)2/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVNLVFBQPLSHKZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds5

About 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 115532278) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID115532278
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H18ClN3O/c1-10-5-6-13(16)8-14(10)15(20)17-7-3-4-12-9-18-19-11(12)2/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVNLVFBQPLSHKZ-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
5-amino-2-bromo-4-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62815798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 115532278) is 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1ccc(Cl)cc1C(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is XVNLVFBQPLSHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-5-6-13(16)8-14(10)15(20)17-7-3-4-12-9-18-19-11(12)2/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 291.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 115532278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).