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

C15H14N4 — CID 73335185

IUPAC3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline
SMILESNc1ccc(-c2cn[nH]c2-c2cccc(N)c2)cc1
InChIInChI=1S/C15H14N4/c16-12-6-4-10(5-7-12)14-9-18-19-15(14)11-2-1-3-13(17)8-11/h1-9H,16-17H2,(H,18,19)
InChIKeyDSUWQVLXMMSOQY-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.91
Rot. Bonds2

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

3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 73335185) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline
PubChem CID73335185
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline
SMILESNc1ccc(-c2cn[nH]c2-c2cccc(N)c2)cc1
InChIInChI=1S/C15H14N4/c16-12-6-4-10(5-7-12)14-9-18-19-15(14)11-2-1-3-13(17)8-11/h1-9H,16-17H2,(H,18,19)
InChIKeyDSUWQVLXMMSOQY-UHFFFAOYSA-N
XLogP2.91
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294
4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355772
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)aniline;1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 162621799
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]aniline;2,2,2-trifluoroacetic acid
CID 117076491
4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
CID 144664765
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
N'-[[5-(3-aminophenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86304952
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(7-chloro-1H-pyrazolo[4,5-d]pyrimidin-5-yl)aniline
CID 90103354

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline (CID 73335185) is 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline is Nc1ccc(-c2cn[nH]c2-c2cccc(N)c2)cc1.
What is the InChIKey of 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is DSUWQVLXMMSOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-12-6-4-10(5-7-12)14-9-18-19-15(14)11-2-1-3-13(17)8-11/h1-9H,16-17H2,(H,18,19).
What are the key properties of 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline?
3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline has a molecular weight of 250.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 73335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).