5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile

C8H10N4O — CID 42609121

IUPAC5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCOC2)c1N
InChIInChI=1S/C8H10N4O/c9-3-6-4-11-12(8(6)10)7-1-2-13-5-7/h4,7H,1-2,5,10H2
InChIKeyHOQMOSJPQYKZEU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.30
Rot. Bonds1

About 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile

5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile (PubChem CID 42609121) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile
PubChem CID42609121
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCOC2)c1N
InChIInChI=1S/C8H10N4O/c9-3-6-4-11-12(8(6)10)7-1-2-13-5-7/h4,7H,1-2,5,10H2
InChIKeyHOQMOSJPQYKZEU-UHFFFAOYSA-N
XLogP0.30
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile (CID 42609121) is 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C2CCOC2)c1N.
What is the InChIKey of 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile?
The InChIKey is HOQMOSJPQYKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-3-6-4-11-12(8(6)10)7-1-2-13-5-7/h4,7H,1-2,5,10H2.
What are the key properties of 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile?
5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(oxolan-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 42609121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).