1-pyridin-2-ylpyrazole-4-carbonyl chloride

C9H6ClN3O — CID 83814309

IUPAC1-pyridin-2-ylpyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C9H6ClN3O/c10-9(14)7-5-12-13(6-7)8-3-1-2-4-11-8/h1-6H
InChIKeyIRGYENIFPKCSMC-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.65
Rot. Bonds2

About 1-pyridin-2-ylpyrazole-4-carbonyl chloride

1-pyridin-2-ylpyrazole-4-carbonyl chloride (PubChem CID 83814309) has the molecular formula C9H6ClN3O and a molecular weight of 207.62 g/mol. Its IUPAC name is 1-pyridin-2-ylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-pyridin-2-ylpyrazole-4-carbonyl chloride
PubChem CID83814309
Molecular FormulaC9H6ClN3O
Molecular Weight207.62 g/mol
Exact Mass207.02
IUPAC Name1-pyridin-2-ylpyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C9H6ClN3O/c10-9(14)7-5-12-13(6-7)8-3-1-2-4-11-8/h1-6H
InChIKeyIRGYENIFPKCSMC-UHFFFAOYSA-N
XLogP1.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
CID 110471594
3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958
2-(4-naphthalen-2-ylpyrazol-1-yl)pyridine
CID 10355830
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
2-methoxy-4-(1-pyridin-2-ylpyrazol-4-yl)benzamide
CID 167872524
methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 167984624
N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
CID 115922504
4-[[4-(1-pyridin-2-ylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid
CID 50952675
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 162299186
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpyrazole-4-carbonyl chloride?
The IUPAC name of 1-pyridin-2-ylpyrazole-4-carbonyl chloride (CID 83814309) is 1-pyridin-2-ylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-pyridin-2-ylpyrazole-4-carbonyl chloride?
The canonical SMILES for 1-pyridin-2-ylpyrazole-4-carbonyl chloride is O=C(Cl)c1cnn(-c2ccccn2)c1.
What is the InChIKey of 1-pyridin-2-ylpyrazole-4-carbonyl chloride?
The InChIKey is IRGYENIFPKCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O/c10-9(14)7-5-12-13(6-7)8-3-1-2-4-11-8/h1-6H.
What are the key properties of 1-pyridin-2-ylpyrazole-4-carbonyl chloride?
1-pyridin-2-ylpyrazole-4-carbonyl chloride has a molecular weight of 207.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 83814309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).