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

C9H13ClN2O — CID 83880828

IUPAC1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
SMILESCCc1nn(C)c(Cl)c1CC(C)=O
InChIInChI=1S/C9H13ClN2O/c1-4-8-7(5-6(2)13)9(10)12(3)11-8/h4-5H2,1-3H3
InChIKeyDWWIFAQMTDFINZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.77
Rot. Bonds3

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

1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one (PubChem CID 83880828) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
PubChem CID83880828
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
SMILESCCc1nn(C)c(Cl)c1CC(C)=O
InChIInChI=1S/C9H13ClN2O/c1-4-8-7(5-6(2)13)9(10)12(3)11-8/h4-5H2,1-3H3
InChIKeyDWWIFAQMTDFINZ-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
2-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 83887374
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone
CID 89112116
(3S,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 154756985
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
5-chloro-3-ethyl-4-isocyanato-1-methylpyrazole
CID 83915244
5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole
CID 43156574

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one (CID 83880828) is 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one is CCc1nn(C)c(Cl)c1CC(C)=O.
What is the InChIKey of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is DWWIFAQMTDFINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-8-7(5-6(2)13)9(10)12(3)11-8/h4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one?
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 200.67 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 83880828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).