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

C14H17ClN2O2 — CID 106859558

IUPAC(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-6-5-9(2)7-11(10)15/h5-8,14,18H,4H2,1-3H3
InChIKeyCZABUYXMIDUNJH-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.96
Rot. Bonds4

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

(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 106859558) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID106859558
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-6-5-9(2)7-11(10)15/h5-8,14,18H,4H2,1-3H3
InChIKeyCZABUYXMIDUNJH-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 106859558) is (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1ccc(C)cc1Cl.
What is the InChIKey of (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is CZABUYXMIDUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-17-13(12(19-3)8-16-17)14(18)10-6-5-9(2)7-11(10)15/h5-8,14,18H,4H2,1-3H3.
What are the key properties of (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 280.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 106859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).