1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one

C12H18N2O2 — CID 114663585

IUPAC1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
SMILESCCn1ncc(OC)c1CCC(=O)C1CC1
InChIInChI=1S/C12H18N2O2/c1-3-14-10(12(16-2)8-13-14)6-7-11(15)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyIGQIBXSZJGBMLF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds6

About 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one

1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one (PubChem CID 114663585) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
PubChem CID114663585
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
SMILESCCn1ncc(OC)c1CCC(=O)C1CC1
InChIInChI=1S/C12H18N2O2/c1-3-14-10(12(16-2)8-13-14)6-7-11(15)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyIGQIBXSZJGBMLF-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-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

2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105133074
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylpentan-3-amine
CID 114664255
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 114642771
2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670325
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one (CID 114663585) is 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one is CCn1ncc(OC)c1CCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The InChIKey is IGQIBXSZJGBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14-10(12(16-2)8-13-14)6-7-11(15)9-4-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one is sourced from PubChem (CID 114663585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).