(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol

C12H12ClFN2O — CID 63894473

IUPAC(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7,12,17H,2H2,1H3
InChIKeyRPTMRZHFIWZHSI-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.78
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol

(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 63894473) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID63894473
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7,12,17H,2H2,1H3
InChIKeyRPTMRZHFIWZHSI-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol (CID 63894473) is (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2c(F)cccc2Cl)cn1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is RPTMRZHFIWZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7,12,17H,2H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
(2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 254.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 63894473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).