5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile

C12H8N10 — CID 70646361

IUPAC5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(-n3ncc(C#N)c3N)ncn2)c1N
InChIInChI=1S/C12H8N10/c13-2-7-4-19-21(11(7)15)9-1-10(18-6-17-9)22-12(16)8(3-14)5-20-22/h1,4-6H,15-16H2
InChIKeyDFUYFSGGKMEZSB-UHFFFAOYSA-N
MW292.27 g/mol
LogP-0.24
Rot. Bonds2

About 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile

5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile (PubChem CID 70646361) has the molecular formula C12H8N10 and a molecular weight of 292.27 g/mol. Its IUPAC name is 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile
PubChem CID70646361
Molecular FormulaC12H8N10
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(-n3ncc(C#N)c3N)ncn2)c1N
InChIInChI=1S/C12H8N10/c13-2-7-4-19-21(11(7)15)9-1-10(18-6-17-9)22-12(16)8(3-14)5-20-22/h1,4-6H,15-16H2
InChIKeyDFUYFSGGKMEZSB-UHFFFAOYSA-N
XLogP-0.24
TPSA161.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
CID 56697544
5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile
CID 79006314
5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
CID 57423269
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 79822220
5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 45035823
5-amino-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 79194059
5-amino-1-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 1235233
5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
CID 4738100
5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
CID 70550152
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-amino-1-(2,6-dibromo-4-chlorophenyl)pyrazole-4-carbonitrile
CID 70553419
5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
CID 122131474

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile (CID 70646361) is 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile is N#Cc1cnn(-c2cc(-n3ncc(C#N)c3N)ncn2)c1N.
What is the InChIKey of 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile?
The InChIKey is DFUYFSGGKMEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N10/c13-2-7-4-19-21(11(7)15)9-1-10(18-6-17-9)22-12(16)8(3-14)5-20-22/h1,4-6H,15-16H2.
What are the key properties of 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile?
5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile has a molecular weight of 292.27 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 70646361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).