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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).