4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile

C18H16N4 — CID 133375330

IUPAC4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
SMILESCc1ccn(-c2ccccc2CNc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H16N4/c1-14-10-11-22(21-14)18-5-3-2-4-16(18)13-20-17-8-6-15(12-19)7-9-17/h2-11,20H,13H2,1H3
InChIKeyURLMOAOHNKKDLV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.66
Rot. Bonds4

About 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile

4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile (PubChem CID 133375330) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
PubChem CID133375330
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
SMILESCc1ccn(-c2ccccc2CNc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H16N4/c1-14-10-11-22(21-14)18-5-3-2-4-16(18)13-20-17-8-6-15(12-19)7-9-17/h2-11,20H,13H2,1H3
InChIKeyURLMOAOHNKKDLV-UHFFFAOYSA-N
XLogP3.66
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
4-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methylamino]benzonitrile
CID 75471135
4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
CID 62951583
1,3-dimethyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 133375375
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133375389
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 86779695
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 133375267
2-(methoxymethyl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitroaniline
CID 133375365
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile?
The IUPAC name of 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile (CID 133375330) is 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile?
The canonical SMILES for 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile is Cc1ccn(-c2ccccc2CNc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile?
The InChIKey is URLMOAOHNKKDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-14-10-11-22(21-14)18-5-3-2-4-16(18)13-20-17-8-6-15(12-19)7-9-17/h2-11,20H,13H2,1H3.
What are the key properties of 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile?
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 133375330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).