(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol

C11H10ClFN2O — CID 103130254

IUPAC(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN2O/c1-15-5-4-10(14-15)11(16)7-2-3-9(13)8(12)6-7/h2-6,11,16H,1H3
InChIKeySSOKXVXNMKBEHW-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.29
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol

(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103130254) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103130254
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN2O/c1-15-5-4-10(14-15)11(16)7-2-3-9(13)8(12)6-7/h2-6,11,16H,1H3
InChIKeySSOKXVXNMKBEHW-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

(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
N-[2-(3-chloro-4-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103040107

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol (CID 103130254) is (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is SSOKXVXNMKBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-5-4-10(14-15)11(16)7-2-3-9(13)8(12)6-7/h2-6,11,16H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol?
(3-chloro-4-fluorophenyl)-(1-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 (3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103130254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).