N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline

C18H20N4 — CID 119045900

IUPACN-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccc(-n3cccn3)cc2C)c(C)n1
InChIInChI=1S/C18H20N4/c1-13-11-17(22-10-4-9-20-22)7-8-18(13)19-12-16-6-5-14(2)21-15(16)3/h4-11,19H,12H2,1-3H3
InChIKeyGBYQUQPPALKTMP-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.80
Rot. Bonds4

About N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline

N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline (PubChem CID 119045900) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
PubChem CID119045900
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccc(-n3cccn3)cc2C)c(C)n1
InChIInChI=1S/C18H20N4/c1-13-11-17(22-10-4-9-20-22)7-8-18(13)19-12-16-6-5-14(2)21-15(16)3/h4-11,19H,12H2,1-3H3
InChIKeyGBYQUQPPALKTMP-UHFFFAOYSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
CID 155063541
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide
CID 146103458
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
CID 119038941
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 119045851
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline (CID 119045900) is N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline is Cc1ccc(CNc2ccc(-n3cccn3)cc2C)c(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline?
The InChIKey is GBYQUQPPALKTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-11-17(22-10-4-9-20-22)7-8-18(13)19-12-16-6-5-14(2)21-15(16)3/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline?
N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline has a molecular weight of 292.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline is sourced from PubChem (CID 119045900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).