4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H13F3N2 — CID 71204354

IUPAC4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2/c1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyHAVMEUDUJJBVCF-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.36
Rot. Bonds2

About 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 71204354) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID71204354
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2/c1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyHAVMEUDUJJBVCF-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 71204354) is 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1cc(C2CC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is HAVMEUDUJJBVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71204354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).