2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline

C16H15N3 — CID 10682079

IUPAC2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
SMILESCc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C16H15N3/c1-11-6-8-12(9-7-11)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyOYTQLNAPHLRBSL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.63
Rot. Bonds2

About 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline

2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 10682079) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
PubChem CID10682079
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
SMILESCc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C16H15N3/c1-11-6-8-12(9-7-11)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyOYTQLNAPHLRBSL-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
CID 135458161
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
2-[3-[3-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54852372
4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 135465890
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
4-[5-(2-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853323
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-4-methylphenol
CID 916137
4-methyl-2-[3-(4-sulfanylphenyl)-1H-pyrazol-5-yl]phenol
CID 136622224

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline (CID 10682079) is 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline is Cc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is OYTQLNAPHLRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-6-8-12(9-7-11)15-10-16(19-18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline?
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline has a molecular weight of 249.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 10682079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).