1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride

C11H8Cl2N2O — CID 2776128

IUPAC1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
SMILESCc1c(C(=O)Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-10(11(13)16)6-14-15(7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyKUQHQFYKJPXTNB-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.21
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride

1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride (PubChem CID 2776128) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
PubChem CID2776128
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
SMILESCc1c(C(=O)Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-10(11(13)16)6-14-15(7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyKUQHQFYKJPXTNB-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-carbamoylphenyl)-5-methylpyrazole-4-carbonyl chloride
CID 121003901
2-bromo-1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 89182938
1-(4-chlorophenyl)-5-methylpyrazole-4-carbothioamide
CID 82528276
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
CID 146096145
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
(3S)-1-[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113534
1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
CID 166208436
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride?
The IUPAC name of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride (CID 2776128) is 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride?
The canonical SMILES for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride is Cc1c(C(=O)Cl)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride?
The InChIKey is KUQHQFYKJPXTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-10(11(13)16)6-14-15(7)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride?
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride has a molecular weight of 255.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 2776128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).