1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C12H14ClN3 — CID 65200322

IUPAC1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-14-12(11-7-8-16(2)15-11)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3
InChIKeyJADALMJZXXGLNI-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 65200322) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID65200322
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-14-12(11-7-8-16(2)15-11)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3
InChIKeyJADALMJZXXGLNI-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 107103871
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114729070
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(2-chlorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105099602
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134589
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134947
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 65200322) is 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1ccn(C)n1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is JADALMJZXXGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-12(11-7-8-16(2)15-11)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 65200322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).