1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

C14H22N2O2 — CID 149131791

IUPAC1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-3-4-12-9-13(16(2)15-12)14(17)6-5-11-7-8-18-10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyRCQFXVFDCFCUCU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.37
Rot. Bonds6

About 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (PubChem CID 149131791) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
PubChem CID149131791
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCc1cc(C(=O)CCC2CCOC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-3-4-12-9-13(16(2)15-12)14(17)6-5-11-7-8-18-10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyRCQFXVFDCFCUCU-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 158752187
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
1-(2-hydroxy-3,5-dimethylphenyl)-3-(1-methyl-3-propylpyrazol-5-yl)propane-1,3-dione
CID 11174478
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one
CID 70788238
1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
CID 105100746
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 70760646
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (CID 149131791) is 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is CCCc1cc(C(=O)CCC2CCOC2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The InChIKey is RCQFXVFDCFCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-12-9-13(16(2)15-12)14(17)6-5-11-7-8-18-10-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 149131791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).