1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone

C9H12N2O2 — CID 115092194

IUPAC1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C2CCOC2)[nH]n1
InChIInChI=1S/C9H12N2O2/c1-6(12)8-4-9(11-10-8)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11)
InChIKeyIAWWENWZJKOCPA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.12
Rot. Bonds2

About 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone

1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone (PubChem CID 115092194) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
PubChem CID115092194
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C2CCOC2)[nH]n1
InChIInChI=1S/C9H12N2O2/c1-6(12)8-4-9(11-10-8)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11)
InChIKeyIAWWENWZJKOCPA-UHFFFAOYSA-N
XLogP1.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
CID 82408330
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 138048472
5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone (CID 115092194) is 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone is CC(=O)c1cc(C2CCOC2)[nH]n1.
What is the InChIKey of 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone?
The InChIKey is IAWWENWZJKOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)8-4-9(11-10-8)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone?
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 115092194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).