1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one

C13H20N2O2 — CID 65164995

IUPAC1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CCCC2CCCO2)c1
InChIInChI=1S/C13H20N2O2/c1-2-13(16)11-9-14-15(10-11)7-3-5-12-6-4-8-17-12/h9-10,12H,2-8H2,1H3
InChIKeyRTQRUBVVUDFNON-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds6

About 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one

1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one (PubChem CID 65164995) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
PubChem CID65164995
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CCCC2CCCO2)c1
InChIInChI=1S/C13H20N2O2/c1-2-13(16)11-9-14-15(10-11)7-3-5-12-6-4-8-17-12/h9-10,12H,2-8H2,1H3
InChIKeyRTQRUBVVUDFNON-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-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

1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one
CID 103014899
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
1-(1-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
CID 102900615
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
CID 116586145
4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65165440
2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
CID 129379137
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one (CID 65164995) is 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one is CCC(=O)c1cnn(CCCC2CCCO2)c1.
What is the InChIKey of 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one?
The InChIKey is RTQRUBVVUDFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-13(16)11-9-14-15(10-11)7-3-5-12-6-4-8-17-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one?
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 65164995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).