2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C17H14ClN3O — CID 11197714

IUPAC2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)16(17(19)22)12-3-1-11(2-4-12)14-9-20-21-10-14/h1-10,16H,(H2,19,22)(H,20,21)
InChIKeyYTIXTVUIMQCOOX-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 11197714) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID11197714
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)16(17(19)22)12-3-1-11(2-4-12)14-9-20-21-10-14/h1-10,16H,(H2,19,22)(H,20,21)
InChIKeyYTIXTVUIMQCOOX-UHFFFAOYSA-N
XLogP3.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 143066737
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 89091069
2-[2-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methoxy]ethylcarbamoyl]benzoic acid
CID 59331989
2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide
CID 166026444

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 11197714) is 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide is NC(=O)C(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is YTIXTVUIMQCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)16(17(19)22)12-3-1-11(2-4-12)14-9-20-21-10-14/h1-10,16H,(H2,19,22)(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 11197714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).