3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride

C10H10ClF3N2O — CID 19620718

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
SMILESO=C(Cl)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H10ClF3N2O/c11-9(17)3-4-16-7(6-1-2-6)5-8(15-16)10(12,13)14/h5-6H,1-4H2
InChIKeyHRBUCGGOKQYPCJ-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.93
Rot. Bonds4

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride (PubChem CID 19620718) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
PubChem CID19620718
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
SMILESO=C(Cl)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H10ClF3N2O/c11-9(17)3-4-16-7(6-1-2-6)5-8(15-16)10(12,13)14/h5-6H,1-4H2
InChIKeyHRBUCGGOKQYPCJ-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.93
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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 19563870
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 19564000
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563799
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 19452153
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19563878
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19563906
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione
CID 19585601
N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520861

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride (CID 19620718) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride is O=C(Cl)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride?
The InChIKey is HRBUCGGOKQYPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-9(17)3-4-16-7(6-1-2-6)5-8(15-16)10(12,13)14/h5-6H,1-4H2.
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride has a molecular weight of 266.65 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride is sourced from PubChem (CID 19620718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).