1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile

C7H5N5O — CID 130573439

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(Cc2ncon2)c1
InChIInChI=1S/C7H5N5O/c8-1-6-2-10-12(3-6)4-7-9-5-13-11-7/h2-3,5H,4H2
InChIKeyINHJRNJNLAHQJR-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.19
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile

1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 130573439) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile
PubChem CID130573439
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(Cc2ncon2)c1
InChIInChI=1S/C7H5N5O/c8-1-6-2-10-12(3-6)4-7-9-5-13-11-7/h2-3,5H,4H2
InChIKeyINHJRNJNLAHQJR-UHFFFAOYSA-N
XLogP0.19
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-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

1-[[(2S)-oxiran-2-yl]methyl]pyrazole-4-carbonitrile
CID 126982877
1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
CID 146048593
1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile
CID 164658652
2-[(4-cyanopyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167905517
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 62399532
1-[(4-tert-butylphenoxy)methyl]pyrazole-4-carbonitrile
CID 102534040
3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
CID 84658831
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
CID 107670454
3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106398946
(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
CID 115278433
3-(4-cyanopyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 84665890
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile (CID 130573439) is 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile is N#Cc1cnn(Cc2ncon2)c1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is INHJRNJNLAHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c8-1-6-2-10-12(3-6)4-7-9-5-13-11-7/h2-3,5H,4H2.
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile?
1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 175.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 130573439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).