1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride

C9H9ClF2N2O — CID 146381615

IUPAC1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cn(CC2CC2)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O/c10-8(15)6-4-14(3-5-1-2-5)13-7(6)9(11)12/h4-5,9H,1-3H2
InChIKeyHKDQDGOECZYPLG-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.61
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride

1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride (PubChem CID 146381615) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride
PubChem CID146381615
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC Name1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cn(CC2CC2)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O/c10-8(15)6-4-14(3-5-1-2-5)13-7(6)9(11)12/h4-5,9H,1-3H2
InChIKeyHKDQDGOECZYPLG-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride?
The IUPAC name of 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride (CID 146381615) is 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride is O=C(Cl)c1cn(CC2CC2)nc1C(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride?
The InChIKey is HKDQDGOECZYPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c10-8(15)6-4-14(3-5-1-2-5)13-7(6)9(11)12/h4-5,9H,1-3H2.
What are the key properties of 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride?
1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride has a molecular weight of 234.63 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(difluoromethyl)pyrazole-4-carbonyl chloride is sourced from PubChem (CID 146381615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).