4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one

C14H22N2O2 — CID 105107024

IUPAC4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
SMILESCc1nn(C)c(C)c1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H22N2O2/c1-10-14(11(2)16(3)15-10)13(17)8-4-6-12-7-5-9-18-12/h12H,4-9H2,1-3H3
InChIKeyBNICLGSZYBNKFH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds5

About 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one

4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one (PubChem CID 105107024) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
PubChem CID105107024
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
SMILESCc1nn(C)c(C)c1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H22N2O2/c1-10-14(11(2)16(3)15-10)13(17)8-4-6-12-7-5-9-18-12/h12H,4-9H2,1-3H3
InChIKeyBNICLGSZYBNKFH-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-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-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
[6-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105314157
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(oxan-2-yl)butan-2-one
CID 115799746
3-morpholin-4-ium-4-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one chloride
CID 110180050
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one (CID 105107024) is 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one is Cc1nn(C)c(C)c1C(=O)CCCC1CCCO1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one?
The InChIKey is BNICLGSZYBNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-14(11(2)16(3)15-10)13(17)8-4-6-12-7-5-9-18-12/h12H,4-9H2,1-3H3.
What are the key properties of 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one?
4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one is sourced from PubChem (CID 105107024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).