3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one

C9H13N3O2 — CID 130619915

IUPAC3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O2/c1-6(7-4-10-11-5-7)12-8-2-3-14-9(8)13/h4-6,8,12H,2-3H2,1H3,(H,10,11)
InChIKeyNVHAONGQKUFPEW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.38
Rot. Bonds3

About 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one

3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one (PubChem CID 130619915) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
PubChem CID130619915
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
SMILESCC(NC1CCOC1=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O2/c1-6(7-4-10-11-5-7)12-8-2-3-14-9(8)13/h4-6,8,12H,2-3H2,1H3,(H,10,11)
InChIKeyNVHAONGQKUFPEW-UHFFFAOYSA-N
XLogP0.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 ≤ 104

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 103856732
methyl (2S)-3,3-dimethyl-2-(1H-pyrazol-4-ylmethylamino)butanoate
CID 57623339
methyl (2S)-3,3-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 67100534
methyl 3,3-dimethyl-2-(1H-pyrazol-4-ylmethylamino)butanoate
CID 67100918
tert-butyl 3-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 123322416
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
CID 43663439
methyl (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 43663745
methyl (2S)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43723769
methyl 3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 60780023
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780722
Ethyl N-[(3-methyl-1H-pyrazol-4-yl)methyl]glycinate
CID 60811885
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498488

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one (CID 130619915) is 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one is CC(NC1CCOC1=O)c1cn[nH]c1.
What is the InChIKey of 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one?
The InChIKey is NVHAONGQKUFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(7-4-10-11-5-7)12-8-2-3-14-9(8)13/h4-6,8,12H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one?
3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one is sourced from PubChem (CID 130619915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).