2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone

C16H27N3O2 — CID 116587859

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(CC)nn1CC
InChIInChI=1S/C16H27N3O2/c1-4-7-17-15-11-21-10-14(15)16(20)9-13-8-12(5-2)18-19(13)6-3/h8,14-15,17H,4-7,9-11H2,1-3H3
InChIKeyOMVJHPAUDMLVNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.59
Rot. Bonds8

About 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone

2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 116587859) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID116587859
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(CC)nn1CC
InChIInChI=1S/C16H27N3O2/c1-4-7-17-15-11-21-10-14(15)16(20)9-13-8-12(5-2)18-19(13)6-3/h8,14-15,17H,4-7,9-11H2,1-3H3
InChIKeyOMVJHPAUDMLVNT-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587763
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587915
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254828
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 116587859) is 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1cc(CC)nn1CC.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is OMVJHPAUDMLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-7-17-15-11-21-10-14(15)16(20)9-13-8-12(5-2)18-19(13)6-3/h8,14-15,17H,4-7,9-11H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).