3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile

C11H8N6 — CID 102825781

IUPAC3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1ccc(-n2nc(N)c(C#N)c2N)cc1
InChIInChI=1S/C11H8N6/c12-5-7-1-3-8(4-2-7)17-11(15)9(6-13)10(14)16-17/h1-4H,15H2,(H2,14,16)
InChIKeyQVOAOOCSYLHMTE-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.78
Rot. Bonds1

About 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile

3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile (PubChem CID 102825781) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
PubChem CID102825781
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1ccc(-n2nc(N)c(C#N)c2N)cc1
InChIInChI=1S/C11H8N6/c12-5-7-1-3-8(4-2-7)17-11(15)9(6-13)10(14)16-17/h1-4H,15H2,(H2,14,16)
InChIKeyQVOAOOCSYLHMTE-UHFFFAOYSA-N
XLogP0.78
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
CID 65348648
4-[4-amino-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 66442429
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 2444887
3,5-diamino-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102826157
5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid
CID 13426030
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 102826166
5-chloro-1-(4-cyanophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 63789314
5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile
CID 16781544

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile (CID 102825781) is 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile is N#Cc1ccc(-n2nc(N)c(C#N)c2N)cc1.
What is the InChIKey of 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
The InChIKey is QVOAOOCSYLHMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c12-5-7-1-3-8(4-2-7)17-11(15)9(6-13)10(14)16-17/h1-4H,15H2,(H2,14,16).
What are the key properties of 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile?
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile has a molecular weight of 224.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102825781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).