2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide

C15H18ClN3O — CID 122131776

IUPAC2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(CCCNC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN3O/c1-19-11-13(10-18-19)3-2-8-17-15(20)9-12-4-6-14(16)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyKWVWSDGKASHUJK-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide

2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide (PubChem CID 122131776) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
PubChem CID122131776
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(CCCNC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN3O/c1-19-11-13(10-18-19)3-2-8-17-15(20)9-12-4-6-14(16)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyKWVWSDGKASHUJK-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.37
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

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
CID 75372870
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111197406
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111197405
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111132089
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
2-amino-5-chloro-3-fluoro-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 100678034
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide (CID 122131776) is 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide is Cn1cc(CCCNC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The InChIKey is KWVWSDGKASHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19-11-13(10-18-19)3-2-8-17-15(20)9-12-4-6-14(16)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 122131776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).