2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide

C13H14ClN3O — CID 62225528

IUPAC2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN(C)C(=O)C(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14ClN3O/c1-16(2)13(18)12(14)10-8-15-17(9-10)11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyVAIGESWTRXWNKN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide

2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 62225528) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID62225528
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN(C)C(=O)C(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14ClN3O/c1-16(2)13(18)12(14)10-8-15-17(9-10)11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyVAIGESWTRXWNKN-UHFFFAOYSA-N
XLogP2.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 130465956
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
2-(3-hydroxybutan-2-yloxy)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 103377817
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide (CID 62225528) is 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide is CN(C)C(=O)C(Cl)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is VAIGESWTRXWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-16(2)13(18)12(14)10-8-15-17(9-10)11-6-4-3-5-7-11/h3-9,12H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide?
2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 62225528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).