(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C13H14ClFN2O2 — CID 114634594

IUPAC(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-3-17-12(10(19-2)7-16-17)13(18)11-8(14)5-4-6-9(11)15/h4-7,13,18H,3H2,1-2H3
InChIKeyWBUKYJICXBGXST-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.79
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114634594) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114634594
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-3-17-12(10(19-2)7-16-17)13(18)11-8(14)5-4-6-9(11)15/h4-7,13,18H,3H2,1-2H3
InChIKeyWBUKYJICXBGXST-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114634594) is (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is WBUKYJICXBGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-3-17-12(10(19-2)7-16-17)13(18)11-8(14)5-4-6-9(11)15/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 284.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114634594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).