[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol

C11H11F2N3O — CID 138694180

IUPAC[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESNc1cn(-c2ccc(CO)cc2)nc1C(F)F
InChIInChI=1S/C11H11F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h1-5,11,17H,6,14H2
InChIKeyHSFHRGSUVJBWJL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.88
Rot. Bonds3

About [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol

[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol (PubChem CID 138694180) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol
PubChem CID138694180
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESNc1cn(-c2ccc(CO)cc2)nc1C(F)F
InChIInChI=1S/C11H11F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h1-5,11,17H,6,14H2
InChIKeyHSFHRGSUVJBWJL-UHFFFAOYSA-N
XLogP1.88
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(1H-Pyrazol-1-yl)phenyl)methanol
CID 2776480
[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
CID 766316
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethane-1,1-diol
CID 171349373
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethanol
CID 171351856
[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanol
CID 4962628
[2-methyl-4-(1H-pyrazol-1-yl)phenyl]methanol
CID 62136070
3-(1H-Pyrazol-1-yl)benzyl alcohol
CID 7164580
1,1,1,3,3,3-Hexafluoro-2-[4-[(1-phenyltriazol-4-yl)methylamino]phenyl]propan-2-ol
CID 164615790
[4-[4-(2,4-Difluorophenyl)triazol-1-yl]phenyl]methanol
CID 172438733
1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-ol
CID 16640543
(3-fluoro-4-(1H-pyrazol-1-yl)phenyl)methanol
CID 33789094
1-[2-fluoro-6-(1H-pyrazol-1-yl)phenyl]ethan-1-ol
CID 43506231

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol (CID 138694180) is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol is Nc1cn(-c2ccc(CO)cc2)nc1C(F)F.
What is the InChIKey of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol?
The InChIKey is HSFHRGSUVJBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h1-5,11,17H,6,14H2.
What are the key properties of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol?
[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol has a molecular weight of 239.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]phenyl]methanol is sourced from PubChem (CID 138694180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).