4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile

C10H10N4 — CID 23460166

IUPAC4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N)=N2)cc1
InChIInChI=1S/C10H10N4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13-14/h1-4H,5-6H2,(H2,12,13)
InChIKeyWDZUTCHHINKFFD-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.04
Rot. Bonds1

About 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile

4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile (PubChem CID 23460166) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile
PubChem CID23460166
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N)=N2)cc1
InChIInChI=1S/C10H10N4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13-14/h1-4H,5-6H2,(H2,12,13)
InChIKeyWDZUTCHHINKFFD-UHFFFAOYSA-N
XLogP1.04
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile 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-[4-(6-amino-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 60870023
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
CID 65348648
4-amino(13C)benzonitrile
CID 10080388
4-(3-oxopyrrolidin-1-yl)benzonitrile
CID 55265477
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-(2-oxo-1,3-thiazolidin-3-yl)benzonitrile
CID 122207514
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
CID 102825781
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
4-(2-methylazetidin-1-yl)benzonitrile
CID 78971394

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile?
The IUPAC name of 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile (CID 23460166) is 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile?
The canonical SMILES for 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile is N#Cc1ccc(N2CCC(N)=N2)cc1.
What is the InChIKey of 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile?
The InChIKey is WDZUTCHHINKFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13-14/h1-4H,5-6H2,(H2,12,13).
What are the key properties of 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile?
4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3,4-dihydropyrazol-2-yl)benzonitrile is sourced from PubChem (CID 23460166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).