2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide

C18H16ClN3O — CID 2104090

IUPAC2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)CCl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13-7-9-14(10-8-13)18-16(20-17(23)11-19)12-22(21-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyWTUJTYDYKXFWIR-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide

2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide (PubChem CID 2104090) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide
PubChem CID2104090
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)CCl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13-7-9-14(10-8-13)18-16(20-17(23)11-19)12-22(21-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyWTUJTYDYKXFWIR-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl)acetamide
CID 2080976
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylamide
CID 1345642
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088
2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319244
2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6906283
1-acetyl-4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4-diazepane
CID 16189906
1-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1,4-diazepan-5-one
CID 16191769
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24820059
N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
CID 122196544
N-[1-[4-[2-(1-phenylpyrazol-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 90429484
2-chloro-N-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 2104089
3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-phenylacrylamide
CID 2173124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide (CID 2104090) is 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide is Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide?
The InChIKey is WTUJTYDYKXFWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-7-9-14(10-8-13)18-16(20-17(23)11-19)12-22(21-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide?
2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide has a molecular weight of 325.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetamide is sourced from PubChem (CID 2104090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).