2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide

C15H18ClN3O — CID 19584605

IUPAC2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1cc(Cl)cn1)c1ccc(C)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-14(12-6-4-11(2)5-7-12)18-15(20)10-19-9-13(16)8-17-19/h4-9,14H,3,10H2,1-2H3,(H,18,20)
InChIKeyKCGQRKCGARPALU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide

2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 19584605) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID19584605
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1cc(Cl)cn1)c1ccc(C)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-14(12-6-4-11(2)5-7-12)18-15(20)10-19-9-13(16)8-17-19/h4-9,14H,3,10H2,1-2H3,(H,18,20)
InChIKeyKCGQRKCGARPALU-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 54909730
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide (CID 19584605) is 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)Cn1cc(Cl)cn1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is KCGQRKCGARPALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-14(12-6-4-11(2)5-7-12)18-15(20)10-19-9-13(16)8-17-19/h4-9,14H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 19584605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).