2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile

C15H18N4 — CID 107804385

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile
SMILESCCn1nc(C)cc1CNc1cccc(C)c1C#N
InChIInChI=1S/C15H18N4/c1-4-19-13(8-12(3)18-19)10-17-15-7-5-6-11(2)14(15)9-16/h5-8,17H,4,10H2,1-3H3
InChIKeyQTLPAFZQFANSML-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.00
Rot. Bonds4

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile

2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile (PubChem CID 107804385) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile
PubChem CID107804385
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile
SMILESCCn1nc(C)cc1CNc1cccc(C)c1C#N
InChIInChI=1S/C15H18N4/c1-4-19-13(8-12(3)18-19)10-17-15-7-5-6-11(2)14(15)9-16/h5-8,17H,4,10H2,1-3H3
InChIKeyQTLPAFZQFANSML-UHFFFAOYSA-N
XLogP3.00
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylaniline
CID 114252018
2-[(1-ethylpyrrol-3-yl)methylamino]-6-methylbenzonitrile
CID 107803182
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile
CID 107803669
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
2-bromo-5-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]aniline
CID 81281056
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
2-[(3,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803407
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile (CID 107804385) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile is CCn1nc(C)cc1CNc1cccc(C)c1C#N.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile?
The InChIKey is QTLPAFZQFANSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-19-13(8-12(3)18-19)10-17-15-7-5-6-11(2)14(15)9-16/h5-8,17H,4,10H2,1-3H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile?
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107804385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).