2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C12H12ClN3O — CID 47285808

IUPAC2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ccn[nH]1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)7-12(17)14-8-11-5-6-15-16-11/h1-6H,7-8H2,(H,14,17)(H,15,16)
InChIKeyKJVBJLUSRFPYPX-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 47285808) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID47285808
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ccn[nH]1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)7-12(17)14-8-11-5-6-15-16-11/h1-6H,7-8H2,(H,14,17)(H,15,16)
InChIKeyKJVBJLUSRFPYPX-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-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385153

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 47285808) is 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCc1ccn[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is KJVBJLUSRFPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)7-12(17)14-8-11-5-6-15-16-11/h1-6H,7-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-(1H-pyrazol-5-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-5-ylmethyl)acetamide is sourced from PubChem (CID 47285808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).