4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile

C14H11N5 — CID 115372193

IUPAC4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccn2nccc2n1
InChIInChI=1S/C14H11N5/c1-18(12-4-2-11(10-15)3-5-12)13-7-9-19-14(17-13)6-8-16-19/h2-9H,1H3
InChIKeyCCXNNUKUJIFSGW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.37
Rot. Bonds2

About 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile

4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile (PubChem CID 115372193) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
PubChem CID115372193
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccn2nccc2n1
InChIInChI=1S/C14H11N5/c1-18(12-4-2-11(10-15)3-5-12)13-7-9-19-14(17-13)6-8-16-19/h2-9H,1H3
InChIKeyCCXNNUKUJIFSGW-UHFFFAOYSA-N
XLogP2.37
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
4-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]benzonitrile
CID 107083029
4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
CID 80823294
methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
CID 115372990
4-[[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112877216
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372794
4-[methyl-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]benzonitrile
CID 66284251
2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 113296606

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The IUPAC name of 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile (CID 115372193) is 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile.
What is the SMILES notation for 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The canonical SMILES for 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile is CN(c1ccc(C#N)cc1)c1ccn2nccc2n1.
What is the InChIKey of 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The InChIKey is CCXNNUKUJIFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-18(12-4-2-11(10-15)3-5-12)13-7-9-19-14(17-13)6-8-16-19/h2-9H,1H3.
What are the key properties of 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile is sourced from PubChem (CID 115372193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).