5-chloro-3-methyl-1-phenylpyrazole;formyl chloride

C11H10Cl2N2O — CID 175273197

IUPAC5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
SMILESCc1cc(Cl)n(-c2ccccc2)n1.O=CCl
InChIInChI=1S/C10H9ClN2.CHClO/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9;2-1-3/h2-7H,1H3;1H
InChIKeyHMWOSTPHGNOIGC-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.25
Rot. Bonds1

About 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride

5-chloro-3-methyl-1-phenylpyrazole;formyl chloride (PubChem CID 175273197) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride.

Molecular Properties

Compound Name5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
PubChem CID175273197
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
SMILESCc1cc(Cl)n(-c2ccccc2)n1.O=CCl
InChIInChI=1S/C10H9ClN2.CHClO/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9;2-1-3/h2-7H,1H3;1H
InChIKeyHMWOSTPHGNOIGC-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride?
The IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride (CID 175273197) is 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride.
What is the SMILES notation for 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride?
The canonical SMILES for 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride is Cc1cc(Cl)n(-c2ccccc2)n1.O=CCl.
What is the InChIKey of 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride?
The InChIKey is HMWOSTPHGNOIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2.CHClO/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9;2-1-3/h2-7H,1H3;1H.
What are the key properties of 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride?
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride has a molecular weight of 257.12 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-phenylpyrazole;formyl chloride is sourced from PubChem (CID 175273197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).