N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

C9H13N3O2 — CID 157037440

IUPACN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6(13)11-7-3-5-14-9(7)8-2-4-10-12-8/h2,4,7,9H,3,5H2,1H3,(H,10,12)(H,11,13)/t7-,9-/m1/s1
InChIKeyJFVQWUKSSOQOFH-VXNVDRBHSA-N
MW195.22 g/mol
LogP0.38
Rot. Bonds2

About N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (PubChem CID 157037440) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
PubChem CID157037440
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6(13)11-7-3-5-14-9(7)8-2-4-10-12-8/h2,4,7,9H,3,5H2,1H3,(H,10,12)(H,11,13)/t7-,9-/m1/s1
InChIKeyJFVQWUKSSOQOFH-VXNVDRBHSA-N
XLogP0.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 136586654
N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986246
(2R,3R)-N-(9,9-dimethyl-5,6,7,8-tetrahydrobenzo[7]annulen-6-yl)-2-(1H-pyrazol-5-yl)oxolan-3-amine
CID 167987751
(2S,3S)-N-[(5-bromo-3-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine
CID 167973834
3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one
CID 167827892
4-bromo-3-[[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]methyl]benzonitrile
CID 154761869
2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
CID 79759186
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
5-(4,8-dioxabicyclo[5.1.0]octan-3-yl)-1H-pyrazole
CID 152627794
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665468
N-[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]acetamide;hydrochloride
CID 66975995

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (CID 157037440) is N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is CC(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1.
What is the InChIKey of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The InChIKey is JFVQWUKSSOQOFH-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(13)11-7-3-5-14-9(7)8-2-4-10-12-8/h2,4,7,9H,3,5H2,1H3,(H,10,12)(H,11,13)/t7-,9-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 157037440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).