4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile

C15H13N5 — CID 104730788

IUPAC4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc2c(NCc3ccc(C#N)cc3)nccn2n1
InChIInChI=1S/C15H13N5/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,10H2,1H3,(H,17,18)
InChIKeyAMEDGJNUMMKZCX-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.52
Rot. Bonds3

About 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile

4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile (PubChem CID 104730788) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
PubChem CID104730788
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc2c(NCc3ccc(C#N)cc3)nccn2n1
InChIInChI=1S/C15H13N5/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,10H2,1H3,(H,17,18)
InChIKeyAMEDGJNUMMKZCX-UHFFFAOYSA-N
XLogP2.52
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
CID 133489141
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
CID 133489118
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104918883
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile (CID 104730788) is 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile is Cc1cc2c(NCc3ccc(C#N)cc3)nccn2n1.
What is the InChIKey of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile?
The InChIKey is AMEDGJNUMMKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,10H2,1H3,(H,17,18).
What are the key properties of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile?
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 104730788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).