[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine

C17H17N3 — CID 115049131

IUPAC[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
SMILESCc1cccc(-c2cnn(-c3ccccc3)c2CN)c1
InChIInChI=1S/C17H17N3/c1-13-6-5-7-14(10-13)16-12-19-20(17(16)11-18)15-8-3-2-4-9-15/h2-10,12H,11,18H2,1H3
InChIKeyIZBOHMZQYGYFME-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds3

About [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine

[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine (PubChem CID 115049131) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
PubChem CID115049131
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
SMILESCc1cccc(-c2cnn(-c3ccccc3)c2CN)c1
InChIInChI=1S/C17H17N3/c1-13-6-5-7-14(10-13)16-12-19-20(17(16)11-18)15-8-3-2-4-9-15/h2-10,12H,11,18H2,1H3
InChIKeyIZBOHMZQYGYFME-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210689
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
CID 105423631
methanamine;1-methyl-3-phenylbenzene
CID 145414985
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 91926179
2-[3-(3-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]ethanamine
CID 91360456
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine?
The IUPAC name of [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine (CID 115049131) is [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine?
The canonical SMILES for [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine is Cc1cccc(-c2cnn(-c3ccccc3)c2CN)c1.
What is the InChIKey of [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine?
The InChIKey is IZBOHMZQYGYFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-6-5-7-14(10-13)16-12-19-20(17(16)11-18)15-8-3-2-4-9-15/h2-10,12H,11,18H2,1H3.
What are the key properties of [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine?
[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine is sourced from PubChem (CID 115049131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).