[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol

C12H12F2N2O — CID 66436584

IUPAC[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2ncc(CO)c2C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-8-3-2-4-10(5-8)16-11(12(13)14)9(7-17)6-15-16/h2-6,12,17H,7H2,1H3
InChIKeyFSVZNBBNBTUNGT-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.61
Rot. Bonds3

About [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol

[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 66436584) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
PubChem CID66436584
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2ncc(CO)c2C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-8-3-2-4-10(5-8)16-11(12(13)14)9(7-17)6-15-16/h2-6,12,17H,7H2,1H3
InChIKeyFSVZNBBNBTUNGT-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (CID 66436584) is [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is Cc1cccc(-n2ncc(CO)c2C(F)F)c1.
What is the InChIKey of [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is FSVZNBBNBTUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-3-2-4-10(5-8)16-11(12(13)14)9(7-17)6-15-16/h2-6,12,17H,7H2,1H3.
What are the key properties of [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 238.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66436584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).