(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol

C11H10ClFN2O — CID 115799135

IUPAC(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(13)10(7)12/h2-6,11,16H,1H3
InChIKeyQCRPCAGXMQGMOV-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.29
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol

(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 115799135) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID115799135
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(13)10(7)12/h2-6,11,16H,1H3
InChIKeyQCRPCAGXMQGMOV-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115799091
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(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
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(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
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1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554138
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
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[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 115527836
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol (CID 115799135) is (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is QCRPCAGXMQGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(13)10(7)12/h2-6,11,16H,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol?
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 240.67 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 115799135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).