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

C7H8F2N2 — CID 7147403

IUPAC5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H8F2N2/c8-7(9)6-3-5(10-11-6)4-1-2-4/h3-4,7H,1-2H2,(H,10,11)
InChIKeyQOGBWRRHJQSLCY-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.22
Rot. Bonds2

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

5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole (PubChem CID 7147403) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
PubChem CID7147403
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H8F2N2/c8-7(9)6-3-5(10-11-6)4-1-2-4/h3-4,7H,1-2H2,(H,10,11)
InChIKeyQOGBWRRHJQSLCY-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole?
The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole (CID 7147403) is 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole is FC(F)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole?
The InChIKey is QOGBWRRHJQSLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-7(9)6-3-5(10-11-6)4-1-2-4/h3-4,7H,1-2H2,(H,10,11).
What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole?
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole has a molecular weight of 158.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 7147403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).