2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol

C9H15ClN2O — CID 70851786

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol
SMILESCCn1nc(C)c(Cl)c1C(C)(C)O
InChIInChI=1S/C9H15ClN2O/c1-5-12-8(9(3,4)13)7(10)6(2)11-12/h13H,5H2,1-4H3
InChIKeyAUDWLUFXCSJMSZ-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol (PubChem CID 70851786) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol
PubChem CID70851786
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol
SMILESCCn1nc(C)c(Cl)c1C(C)(C)O
InChIInChI=1S/C9H15ClN2O/c1-5-12-8(9(3,4)13)7(10)6(2)11-12/h13H,5H2,1-4H3
InChIKeyAUDWLUFXCSJMSZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66059584
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
5-(3-bromo-2,2-dimethylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 66048622
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247178
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine
CID 104828116
4-chloro-5-(5-chloro-2-methylpent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79602947
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-methylsulfonylbutan-2-ol
CID 115813292
3-(aminomethyl)-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116610821
5-tert-butyl-1,4-diethyl-3-methylpyrazole
CID 58720051
4-chloro-5-(2-chloro-5,5-dimethylhexyl)-1-ethyl-3-methylpyrazole
CID 114211848

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol (CID 70851786) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol is CCn1nc(C)c(Cl)c1C(C)(C)O.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol?
The InChIKey is AUDWLUFXCSJMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-5-12-8(9(3,4)13)7(10)6(2)11-12/h13H,5H2,1-4H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol has a molecular weight of 202.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 70851786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).