4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole

C13H10ClF3N2 — CID 66437096

IUPAC4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-n2ncc(CCl)c2C2CC2)cc1F
InChIInChI=1S/C13H10ClF3N2/c14-5-8-6-18-19(13(8)7-1-2-7)12-4-10(16)9(15)3-11(12)17/h3-4,6-7H,1-2,5H2
InChIKeyMGRHQYMADSHASZ-UHFFFAOYSA-N
MW286.68 g/mol
LogP3.91
Rot. Bonds3

About 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole

4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole (PubChem CID 66437096) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
PubChem CID66437096
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-n2ncc(CCl)c2C2CC2)cc1F
InChIInChI=1S/C13H10ClF3N2/c14-5-8-6-18-19(13(8)7-1-2-7)12-4-10(16)9(15)3-11(12)17/h3-4,6-7H,1-2,5H2
InChIKeyMGRHQYMADSHASZ-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole (CID 66437096) is 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole is Fc1cc(F)c(-n2ncc(CCl)c2C2CC2)cc1F.
What is the InChIKey of 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole?
The InChIKey is MGRHQYMADSHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-5-8-6-18-19(13(8)7-1-2-7)12-4-10(16)9(15)3-11(12)17/h3-4,6-7H,1-2,5H2.
What are the key properties of 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole?
4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole has a molecular weight of 286.68 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole is sourced from PubChem (CID 66437096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).