(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol

C11H10F2N2O — CID 65195591

IUPAC(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N2O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyHABLHKJARTZEQL-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.78
Rot. Bonds2

About (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol

(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 65195591) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID65195591
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N2O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyHABLHKJARTZEQL-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol
CID 104659584
(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol (CID 65195591) is (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cccc(F)c2F)n1.
What is the InChIKey of (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is HABLHKJARTZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3.
What are the key properties of (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol?
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 224.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 65195591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).