1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C18H19N3 — CID 28663771

IUPAC1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H19N3/c1-15-6-5-7-16(10-15)11-19-12-17-13-20-21(14-17)18-8-3-2-4-9-18/h2-10,13-14,19H,11-12H2,1H3
InChIKeyGCXXZVZBJRKXBY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 28663771) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID28663771
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H19N3/c1-15-6-5-7-16(10-15)11-19-12-17-13-20-21(14-17)18-8-3-2-4-9-18/h2-10,13-14,19H,11-12H2,1H3
InChIKeyGCXXZVZBJRKXBY-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 167980095
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
2-ethyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 103702185
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
CID 54669704

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 28663771) is 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is Cc1cccc(CNCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is GCXXZVZBJRKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15-6-5-7-16(10-15)11-19-12-17-13-20-21(14-17)18-8-3-2-4-9-18/h2-10,13-14,19H,11-12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 28663771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).