3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride

C10H7Cl2N3O — CID 164570520

IUPAC3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
SMILESCc1cccnc1-n1nc(Cl)cc1C(=O)Cl
InChIInChI=1S/C10H7Cl2N3O/c1-6-3-2-4-13-10(6)15-7(9(12)16)5-8(11)14-15/h2-5H,1H3
InChIKeyOGDPTVHZCHFHMJ-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.61
Rot. Bonds2

About 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride

3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride (PubChem CID 164570520) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
PubChem CID164570520
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
SMILESCc1cccnc1-n1nc(Cl)cc1C(=O)Cl
InChIInChI=1S/C10H7Cl2N3O/c1-6-3-2-4-13-10(6)15-7(9(12)16)5-8(11)14-15/h2-5H,1H3
InChIKeyOGDPTVHZCHFHMJ-UHFFFAOYSA-N
XLogP2.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 141260277
3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
CID 57381412
3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride
CID 141357210
pentyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 59549392
(2,5-dioxopyrrolidin-1-yl) 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 175730871
6,8-dichloro-1-[3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-2,3-dihydroquinazolin-4-one
CID 10217097
3-chloro-1-methylpyrazole-5-carbonyl chloride
CID 18970462
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
CID 39096479
3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 70889142
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
CID 141163748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?
The IUPAC name of 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride (CID 164570520) is 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride.
What is the SMILES notation for 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?
The canonical SMILES for 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride is Cc1cccnc1-n1nc(Cl)cc1C(=O)Cl.
What is the InChIKey of 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?
The InChIKey is OGDPTVHZCHFHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-6-3-2-4-13-10(6)15-7(9(12)16)5-8(11)14-15/h2-5H,1H3.
What are the key properties of 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?
3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride has a molecular weight of 256.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride is sourced from PubChem (CID 164570520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).