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

C17H17N3 — CID 28910773

IUPAC[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
SMILESCc1ccc(-n2cc(CN)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-13-7-9-16(10-8-13)20-12-15(11-18)17(19-20)14-5-3-2-4-6-14/h2-10,12H,11,18H2,1H3
InChIKeyIKYAJCXUFFLDMB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds3

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

[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine (PubChem CID 28910773) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
PubChem CID28910773
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
SMILESCc1ccc(-n2cc(CN)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-13-7-9-16(10-8-13)20-12-15(11-18)17(19-20)14-5-3-2-4-6-14/h2-10,12H,11,18H2,1H3
InChIKeyIKYAJCXUFFLDMB-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

[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910884
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 7703542
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine (CID 28910773) is [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine is Cc1ccc(-n2cc(CN)c(-c3ccccc3)n2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine?
The InChIKey is IKYAJCXUFFLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-7-9-16(10-8-13)20-12-15(11-18)17(19-20)14-5-3-2-4-6-14/h2-10,12H,11,18H2,1H3.
What are the key properties of [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine?
[1-(4-methylphenyl)-3-phenylpyrazol-4-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 [1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 28910773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).