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

C14H11N5 — CID 115372194

IUPAC3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccn2nccc2n1
InChIInChI=1S/C14H11N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,1H3
InChIKeyIXQWSJUPWATMSW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.37
Rot. Bonds2

About 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile

3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile (PubChem CID 115372194) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
PubChem CID115372194
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccn2nccc2n1
InChIInChI=1S/C14H11N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,1H3
InChIKeyIXQWSJUPWATMSW-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

4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372193
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzonitrile
CID 103002508
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
CID 79947007

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile (CID 115372194) is 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile is CN(c1cccc(C#N)c1)c1ccn2nccc2n1.
What is the InChIKey of 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
The InChIKey is IXQWSJUPWATMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,1H3.
What are the key properties of 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile?
3-[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 3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile is sourced from PubChem (CID 115372194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).