2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide

C12H9ClN4O — CID 50988853

IUPAC2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H9ClN4O/c13-10-6-15-17(7-10)8-12(18)16-11-3-1-9(5-14)2-4-11/h1-4,6-7H,8H2,(H,16,18)
InChIKeyOPRJSHKWBSAUQK-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide

2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide (PubChem CID 50988853) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
PubChem CID50988853
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H9ClN4O/c13-10-6-15-17(7-10)8-12(18)16-11-3-1-9(5-14)2-4-11/h1-4,6-7H,8H2,(H,16,18)
InChIKeyOPRJSHKWBSAUQK-UHFFFAOYSA-N
XLogP2.05
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide
CID 82031897
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide (CID 50988853) is 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide?
The InChIKey is OPRJSHKWBSAUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-10-6-15-17(7-10)8-12(18)16-11-3-1-9(5-14)2-4-11/h1-4,6-7H,8H2,(H,16,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide has a molecular weight of 260.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 50988853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).