3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one

C14H22N2O2 — CID 103024318

IUPAC3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
SMILESCC1OC(C)C(C(=O)CCc2ccnn2C)C1C
InChIInChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)14(9)13(17)6-5-12-7-8-15-16(12)4/h7-11,14H,5-6H2,1-4H3
InChIKeyCGOIGDLIDFAIQN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one (PubChem CID 103024318) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
PubChem CID103024318
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
SMILESCC1OC(C)C(C(=O)CCc2ccnn2C)C1C
InChIInChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)14(9)13(17)6-5-12-7-8-15-16(12)4/h7-11,14H,5-6H2,1-4H3
InChIKeyCGOIGDLIDFAIQN-UHFFFAOYSA-N
XLogP1.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
1-[1-(2-Methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024227
1-Cyclohexyl-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024236
1-(1,4-Dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024242
1-(2-Methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
CID 103024267
1-Cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024270
1-Ethoxy-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024277
6-Ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024279
6-Methoxy-1-(2-methylpyrazol-3-yl)heptan-3-one
CID 103024290
1-(2-Methylpyrazol-3-yl)-4-propylheptan-3-one
CID 103024291
4-(2-Methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one
CID 103024316
3-(2-Methylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 103024319

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one (CID 103024318) is 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one is CC1OC(C)C(C(=O)CCc2ccnn2C)C1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one?
The InChIKey is CGOIGDLIDFAIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)14(9)13(17)6-5-12-7-8-15-16(12)4/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one is sourced from PubChem (CID 103024318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).