1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone

C10H14N2O2 — CID 129368054

IUPAC1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c1-8(13)10-4-11-12(6-10)5-9-2-3-14-7-9/h4,6,9H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyYXMZCSWXWAGZJH-VIFPVBQESA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds3

About 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone

1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone (PubChem CID 129368054) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
PubChem CID129368054
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c1-8(13)10-4-11-12(6-10)5-9-2-3-14-7-9/h4,6,9H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyYXMZCSWXWAGZJH-VIFPVBQESA-N
XLogP1.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]ethanone
CID 79623164
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone (CID 129368054) is 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(C[C@@H]2CCOC2)c1.
What is the InChIKey of 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone?
The InChIKey is YXMZCSWXWAGZJH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(13)10-4-11-12(6-10)5-9-2-3-14-7-9/h4,6,9H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone?
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 129368054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).