5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile

C13H13N5O — CID 22310054

IUPAC5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2ccncc2)c1N
InChIInChI=1S/C13H13N5O/c14-8-10-12(11-2-1-7-19-11)17-18(13(10)15)9-3-5-16-6-4-9/h3-6,11H,1-2,7,15H2
InChIKeyZBHVIARAEHLGOX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.57
Rot. Bonds2

About 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile

5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile (PubChem CID 22310054) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile
PubChem CID22310054
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2ccncc2)c1N
InChIInChI=1S/C13H13N5O/c14-8-10-12(11-2-1-7-19-11)17-18(13(10)15)9-3-5-16-6-4-9/h3-6,11H,1-2,7,15H2
InChIKeyZBHVIARAEHLGOX-UHFFFAOYSA-N
XLogP1.57
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
CID 124522610
5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310045
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 22310061
2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
CID 130577599
1-(4-chlorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82200758
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
CID 102825781
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272
1-[4-(dimethylamino)phenyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82199653
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
5-amino-1-[4-cyano-3-(oxan-4-ylamino)phenyl]-3-methylpyrazole-4-carbonitrile
CID 25051244
5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
CID 102809182

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile (CID 22310054) is 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile is N#Cc1c(C2CCCO2)nn(-c2ccncc2)c1N.
What is the InChIKey of 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile?
The InChIKey is ZBHVIARAEHLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-8-10-12(11-2-1-7-19-11)17-18(13(10)15)9-3-5-16-6-4-9/h3-6,11H,1-2,7,15H2.
What are the key properties of 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile?
5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 22310054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).