1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol

C13H23ClN2O2 — CID 114228361

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)C(C)(C)OC)c1Cl
InChIInChI=1S/C13H23ClN2O2/c1-7-9-11(14)10(16(5)15-9)8-13(4,17)12(2,3)18-6/h17H,7-8H2,1-6H3
InChIKeyYIPHWEWWLMTVFQ-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 114228361) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID114228361
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)C(C)(C)OC)c1Cl
InChIInChI=1S/C13H23ClN2O2/c1-7-9-11(14)10(16(5)15-9)8-13(4,17)12(2,3)18-6/h17H,7-8H2,1-6H3
InChIKeyYIPHWEWWLMTVFQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66037920
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-hydroxy-2-methylpropanal
CID 66037669
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450201
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxycarbonylbutanoic acid
CID 103974525
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
ethyl 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enoate
CID 102639020
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol
CID 66058287
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159740
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567110

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol (CID 114228361) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol is CCc1nn(C)c(CC(C)(O)C(C)(C)OC)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is YIPHWEWWLMTVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O2/c1-7-9-11(14)10(16(5)15-9)8-13(4,17)12(2,3)18-6/h17H,7-8H2,1-6H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 274.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114228361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).