5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole

C7H7F3N2 — CID 7147438

IUPAC5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeySUCMXFIPSVVVQE-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.31
Rot. Bonds1

About 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole

5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 7147438) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID7147438
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeySUCMXFIPSVVVQE-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole (CID 7147438) is 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is SUCMXFIPSVVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12).
What are the key properties of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 176.14 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 7147438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).