4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

C15H14N4O — CID 25097322

IUPAC4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(N)cc1
InChIInChI=1S/C15H14N4O/c1-10-14(11-5-7-12(16)8-6-11)15(20)19(18-10)13-4-2-3-9-17-13/h2-9,18H,16H2,1H3
InChIKeyYMGYREOKMPXOOD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.12
Rot. Bonds2

About 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 25097322) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID25097322
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(N)cc1
InChIInChI=1S/C15H14N4O/c1-10-14(11-5-7-12(16)8-6-11)15(20)19(18-10)13-4-2-3-9-17-13/h2-9,18H,16H2,1H3
InChIKeyYMGYREOKMPXOOD-UHFFFAOYSA-N
XLogP2.12
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (CID 25097322) is 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is YMGYREOKMPXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-14(11-5-7-12(16)8-6-11)15(20)19(18-10)13-4-2-3-9-17-13/h2-9,18H,16H2,1H3.
What are the key properties of 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 25097322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).