N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine

C12H15N3 — CID 83881004

IUPACN-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine
SMILESCNCc1ccnn1-c1cccc(C)c1
InChIInChI=1S/C12H15N3/c1-10-4-3-5-11(8-10)15-12(9-13-2)6-7-14-15/h3-8,13H,9H2,1-2H3
InChIKeyABQZWEHGCIDVQN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine

N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 83881004) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID83881004
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine
SMILESCNCc1ccnn1-c1cccc(C)c1
InChIInChI=1S/C12H15N3/c1-10-4-3-5-11(8-10)15-12(9-13-2)6-7-14-15/h3-8,13H,9H2,1-2H3
InChIKeyABQZWEHGCIDVQN-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(3-methylphenyl)imidazol-4-yl]methanamine
CID 83881035
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine
CID 117167256
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 83887554
5-(chloromethyl)-1-(3-methylphenyl)-1,2,4-triazole
CID 107447277
5-benzyl-1-phenylpyrazole
CID 14003889
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
CID 107331059
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine (CID 83881004) is N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine is CNCc1ccnn1-c1cccc(C)c1.
What is the InChIKey of N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is ABQZWEHGCIDVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-3-5-11(8-10)15-12(9-13-2)6-7-14-15/h3-8,13H,9H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine?
N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 83881004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).