[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol

C13H12F2N2O — CID 138485896

IUPAC[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol
SMILESOCc1c(C2CC2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c14-10-2-1-3-11(15)13(10)17-12(7-18)9(6-16-17)8-4-5-8/h1-3,6,8,18H,4-5,7H2
InChIKeyJTZSXAVLMSSXIT-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.52
Rot. Bonds3

About [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol

[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol (PubChem CID 138485896) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol
PubChem CID138485896
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol
SMILESOCc1c(C2CC2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c14-10-2-1-3-11(15)13(10)17-12(7-18)9(6-16-17)8-4-5-8/h1-3,6,8,18H,4-5,7H2
InChIKeyJTZSXAVLMSSXIT-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol (CID 138485896) is [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol is OCc1c(C2CC2)cnn1-c1c(F)cccc1F.
What is the InChIKey of [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol?
The InChIKey is JTZSXAVLMSSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-10-2-1-3-11(15)13(10)17-12(7-18)9(6-16-17)8-4-5-8/h1-3,6,8,18H,4-5,7H2.
What are the key properties of [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol?
[4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol has a molecular weight of 250.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 138485896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).