1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C13H16ClN3 — CID 114028295

IUPAC1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClN3/c1-9-6-11(14)4-5-12(9)13(15-2)10-7-16-17(3)8-10/h4-8,13,15H,1-3H3
InChIKeyRZTGTEQQYKDBCH-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 114028295) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID114028295
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClN3/c1-9-6-11(14)4-5-12(9)13(15-2)10-7-16-17(3)8-10/h4-8,13,15H,1-3H3
InChIKeyRZTGTEQQYKDBCH-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115808682
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
[(4-fluoro-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228355
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 62688971
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 114028295) is 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)c1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is RZTGTEQQYKDBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-6-11(14)4-5-12(9)13(15-2)10-7-16-17(3)8-10/h4-8,13,15H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 114028295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).