3-chloro-1-(difluoromethyl)pyrazole

C4H3ClF2N2 — CID 67746336

IUPAC3-chloro-1-(difluoromethyl)pyrazole
SMILESFC(F)n1ccc(Cl)n1
InChIInChI=1S/C4H3ClF2N2/c5-3-1-2-9(8-3)4(6)7/h1-2,4H
InChIKeyPHGCRNASHZHYAS-UHFFFAOYSA-N
MW152.53 g/mol
LogP1.93
Rot. Bonds1

About 3-chloro-1-(difluoromethyl)pyrazole

3-chloro-1-(difluoromethyl)pyrazole (PubChem CID 67746336) has the molecular formula C4H3ClF2N2 and a molecular weight of 152.53 g/mol. Its IUPAC name is 3-chloro-1-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name3-chloro-1-(difluoromethyl)pyrazole
PubChem CID67746336
Molecular FormulaC4H3ClF2N2
Molecular Weight152.53 g/mol
Exact Mass152.00
IUPAC Name3-chloro-1-(difluoromethyl)pyrazole
SMILESFC(F)n1ccc(Cl)n1
InChIInChI=1S/C4H3ClF2N2/c5-3-1-2-9(8-3)4(6)7/h1-2,4H
InChIKeyPHGCRNASHZHYAS-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(difluoromethyl)pyrazole?
The IUPAC name of 3-chloro-1-(difluoromethyl)pyrazole (CID 67746336) is 3-chloro-1-(difluoromethyl)pyrazole.
What is the SMILES notation for 3-chloro-1-(difluoromethyl)pyrazole?
The canonical SMILES for 3-chloro-1-(difluoromethyl)pyrazole is FC(F)n1ccc(Cl)n1.
What is the InChIKey of 3-chloro-1-(difluoromethyl)pyrazole?
The InChIKey is PHGCRNASHZHYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2/c5-3-1-2-9(8-3)4(6)7/h1-2,4H.
What are the key properties of 3-chloro-1-(difluoromethyl)pyrazole?
3-chloro-1-(difluoromethyl)pyrazole has a molecular weight of 152.53 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(difluoromethyl)pyrazole is sourced from PubChem (CID 67746336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).