(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol

C14H17ClN2O — CID 114635051

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cccc(C)c1C
InChIInChI=1S/C14H17ClN2O/c1-4-17-13(12(15)8-16-17)14(18)11-7-5-6-9(2)10(11)3/h5-8,14,18H,4H2,1-3H3
InChIKeyMWAYOKBZACWNPU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.25
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol (PubChem CID 114635051) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
PubChem CID114635051
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cccc(C)c1C
InChIInChI=1S/C14H17ClN2O/c1-4-17-13(12(15)8-16-17)14(18)11-7-5-6-9(2)10(11)3/h5-8,14,18H,4H2,1-3H3
InChIKeyMWAYOKBZACWNPU-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
CID 115834338
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105127736
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
(4-chloro-1-ethylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105127701
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol (CID 114635051) is (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol is CCn1ncc(Cl)c1C(O)c1cccc(C)c1C.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol?
The InChIKey is MWAYOKBZACWNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-17-13(12(15)8-16-17)14(18)11-7-5-6-9(2)10(11)3/h5-8,14,18H,4H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol has a molecular weight of 264.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 114635051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).