2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide

C12H12ClN3O — CID 60736185

IUPAC2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cn[nH]c1
InChIInChI=1S/C12H12ClN3O/c13-11-3-1-9(2-4-11)5-12(17)14-6-10-7-15-16-8-10/h1-4,7-8H,5-6H2,(H,14,17)(H,15,16)
InChIKeyYQAJPBXAQZDEAE-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60736185) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60736185
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cn[nH]c1
InChIInChI=1S/C12H12ClN3O/c13-11-3-1-9(2-4-11)5-12(17)14-6-10-7-15-16-8-10/h1-4,7-8H,5-6H2,(H,14,17)(H,15,16)
InChIKeyYQAJPBXAQZDEAE-UHFFFAOYSA-N
XLogP1.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223401
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
(E)-3-(2,4-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 54896919
N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 60967720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60736185) is 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCc1cn[nH]c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is YQAJPBXAQZDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-3-1-9(2-4-11)5-12(17)14-6-10-7-15-16-8-10/h1-4,7-8H,5-6H2,(H,14,17)(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60736185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).