N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide

C13H14ClN3O — CID 19337089

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-13(15-10(2)18)16-17(9)8-11-4-3-5-12(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyCQTQYYZVTSIQFY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.85
Rot. Bonds3

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 19337089) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
PubChem CID19337089
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-13(15-10(2)18)16-17(9)8-11-4-3-5-12(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyCQTQYYZVTSIQFY-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19411642
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-propylthiourea
CID 19403536
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19411380
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19411665
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 19403517
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide (CID 19337089) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is CQTQYYZVTSIQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-6-13(15-10(2)18)16-17(9)8-11-4-3-5-12(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 19337089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).