3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one

C13H20N2O2 — CID 114972319

IUPAC3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-2-9-15-12(7-8-14-15)13(16)6-5-11-4-3-10-17-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyXQRATOVBVZSNNI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds6

About 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one

3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one (PubChem CID 114972319) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
PubChem CID114972319
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-2-9-15-12(7-8-14-15)13(16)6-5-11-4-3-10-17-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyXQRATOVBVZSNNI-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

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Related Compounds

oxan-2-yl-(2-propylpyrazol-3-yl)methanone
CID 114972338
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
CID 114972299
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
2-propylpyrazole-3-carboxylic acid
CID 7017775
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154915

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one (CID 114972319) is 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one is CCCn1nccc1C(=O)CCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one?
The InChIKey is XQRATOVBVZSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-9-15-12(7-8-14-15)13(16)6-5-11-4-3-10-17-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one?
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-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 3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 114972319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).