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

C16H15N3 — CID 142934716

IUPAC4-[5-(4-methylphenyl)pyrazol-1-yl]aniline
SMILESCc1ccc(-c2ccnn2-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15N3/c1-12-2-4-13(5-3-12)16-10-11-18-19(16)15-8-6-14(17)7-9-15/h2-11H,17H2,1H3
InChIKeyUCTRUYTTXAIRNC-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.43
Rot. Bonds2

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

4-[5-(4-methylphenyl)pyrazol-1-yl]aniline (PubChem CID 142934716) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)pyrazol-1-yl]aniline
PubChem CID142934716
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[5-(4-methylphenyl)pyrazol-1-yl]aniline
SMILESCc1ccc(-c2ccnn2-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15N3/c1-12-2-4-13(5-3-12)16-10-11-18-19(16)15-8-6-14(17)7-9-15/h2-11H,17H2,1H3
InChIKeyUCTRUYTTXAIRNC-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
4-[5-(4-methoxy-3-methylphenyl)pyrazol-1-yl]aniline;3-methyloxolane
CID 143218422
2-methyl-5-(2-phenylpyrazol-3-yl)aniline
CID 107331025
1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
CID 107331022
magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide
CID 58163157
1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine
CID 107331073
ethane;4-(4-methylphenyl)aniline
CID 142892908
1-[4-[2-(4-chlorophenyl)pyrazol-3-yl]phenyl]-3,3-dimethylazetidin-2-one
CID 1486822
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline?
The IUPAC name of 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline (CID 142934716) is 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline.
What is the SMILES notation for 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline?
The canonical SMILES for 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline is Cc1ccc(-c2ccnn2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline?
The InChIKey is UCTRUYTTXAIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-2-4-13(5-3-12)16-10-11-18-19(16)15-8-6-14(17)7-9-15/h2-11H,17H2,1H3.
What are the key properties of 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline?
4-[5-(4-methylphenyl)pyrazol-1-yl]aniline has a molecular weight of 249.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)pyrazol-1-yl]aniline is sourced from PubChem (CID 142934716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).