4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one

C14H13N5O — CID 136979952

IUPAC4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2cc(-c3ccc(N)cc3)cn2)cc(=O)[nH]1
InChIInChI=1S/C14H13N5O/c1-9-17-13(6-14(20)18-9)19-8-11(7-16-19)10-2-4-12(15)5-3-10/h2-8H,15H2,1H3,(H,17,18,20)
InChIKeyWIMGAOJRZACFGL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.51
Rot. Bonds2

About 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136979952) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136979952
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2cc(-c3ccc(N)cc3)cn2)cc(=O)[nH]1
InChIInChI=1S/C14H13N5O/c1-9-17-13(6-14(20)18-9)19-8-11(7-16-19)10-2-4-12(15)5-3-10/h2-8H,15H2,1H3,(H,17,18,20)
InChIKeyWIMGAOJRZACFGL-UHFFFAOYSA-N
XLogP1.51
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(6-propan-2-ylpyrimidin-4-yl)pyrazol-4-yl]aniline
CID 63327879
4-(1-pyridazin-3-ylpyrazol-4-yl)aniline
CID 63328494
4-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]aniline
CID 63327880
6-[4-(4-aminophenyl)pyrazol-1-yl]pyridine-2-carbonitrile
CID 64589801
4-(4-aminophenyl)-N-[(1S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]benzamide
CID 177054304
4-[4-[(1R)-1-(2-chloro-4-ethylphenyl)-2-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137310172
[2-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80900186
2-methyl-4-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026692
2-[4-(4-aminophenyl)pyrazol-1-yl]-5-bromobenzonitrile
CID 114895168
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136989527
4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79176732

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136979952) is 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(-n2cc(-c3ccc(N)cc3)cn2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WIMGAOJRZACFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-17-13(6-14(20)18-9)19-8-11(7-16-19)10-2-4-12(15)5-3-10/h2-8H,15H2,1H3,(H,17,18,20).
What are the key properties of 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 267.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).