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

C13H19ClN2O2 — CID 103986324

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCn1nc(C)c(Cl)c1CC(=O)CC1CCOC1
InChIInChI=1S/C13H19ClN2O2/c1-3-16-12(13(14)9(2)15-16)7-11(17)6-10-4-5-18-8-10/h10H,3-8H2,1-2H3
InChIKeyJXOKDJOTYJCGBJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.40
Rot. Bonds5

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

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986324) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986324
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCn1nc(C)c(Cl)c1CC(=O)CC1CCOC1
InChIInChI=1S/C13H19ClN2O2/c1-3-16-12(13(14)9(2)15-16)7-11(17)6-10-4-5-18-8-10/h10H,3-8H2,1-2H3
InChIKeyJXOKDJOTYJCGBJ-UHFFFAOYSA-N
XLogP2.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-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

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265950
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468967
1-[1-(aminomethyl)cyclohexyl]-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-one
CID 116614321
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077104
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,1-dioxo-1,4-thiazinan-3-yl)propan-2-one
CID 116595426
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 105109537
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589719
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethanone
CID 80621937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one (CID 103986324) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one is CCn1nc(C)c(Cl)c1CC(=O)CC1CCOC1.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is JXOKDJOTYJCGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16-12(13(14)9(2)15-16)7-11(17)6-10-4-5-18-8-10/h10H,3-8H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 270.76 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).