2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile

C14H16N4 — CID 81281986

IUPAC2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
SMILESCc1cc(N(C)Cc2cnn(C)c2)ccc1C#N
InChIInChI=1S/C14H16N4/c1-11-6-14(5-4-13(11)7-15)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,9H2,1-3H3
InChIKeyGZFVVQFVPOCHSJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile

2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile (PubChem CID 81281986) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
PubChem CID81281986
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
SMILESCc1cc(N(C)Cc2cnn(C)c2)ccc1C#N
InChIInChI=1S/C14H16N4/c1-11-6-14(5-4-13(11)7-15)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,9H2,1-3H3
InChIKeyGZFVVQFVPOCHSJ-UHFFFAOYSA-N
XLogP2.24
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
CID 102624011
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 31921129
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379
2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 81282821
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 81281823
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile?
The IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile (CID 81281986) is 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile?
The canonical SMILES for 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile is Cc1cc(N(C)Cc2cnn(C)c2)ccc1C#N.
What is the InChIKey of 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile?
The InChIKey is GZFVVQFVPOCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-6-14(5-4-13(11)7-15)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,9H2,1-3H3.
What are the key properties of 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile?
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 81281986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).