2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile

C12H12N4 — CID 43433440

IUPAC2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
SMILESCn1nccc1CNc1ccccc1C#N
InChIInChI=1S/C12H12N4/c1-16-11(6-7-15-16)9-14-12-5-3-2-4-10(12)8-13/h2-7,14H,9H2,1H3
InChIKeyTYKWABQJPBZELT-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile

2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile (PubChem CID 43433440) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
PubChem CID43433440
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
SMILESCn1nccc1CNc1ccccc1C#N
InChIInChI=1S/C12H12N4/c1-16-11(6-7-15-16)9-14-12-5-3-2-4-10(12)8-13/h2-7,14H,9H2,1H3
InChIKeyTYKWABQJPBZELT-UHFFFAOYSA-N
XLogP1.90
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107933811
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
3-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43722901
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107276357
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-[(2-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43663157
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103007002
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 110651650
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 114255950
ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43663374
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile (CID 43433440) is 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile is Cn1nccc1CNc1ccccc1C#N.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile?
The InChIKey is TYKWABQJPBZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-11(6-7-15-16)9-14-12-5-3-2-4-10(12)8-13/h2-7,14H,9H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile?
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 43433440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).