4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one

C14H13N5O2 — CID 136979964

IUPAC4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2cc(-c3ccccc3N)cn2)nc[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-21-12-13(16-8-17-14(12)20)19-7-9(6-18-19)10-4-2-3-5-11(10)15/h2-8H,15H2,1H3,(H,16,17,20)
InChIKeyFOKWESYJMZBVOB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.21
Rot. Bonds3

About 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979964) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979964
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2cc(-c3ccccc3N)cn2)nc[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-21-12-13(16-8-17-14(12)20)19-7-9(6-18-19)10-4-2-3-5-11(10)15/h2-8H,15H2,1H3,(H,16,17,20)
InChIKeyFOKWESYJMZBVOB-UHFFFAOYSA-N
XLogP1.21
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979964) is 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(-n2cc(-c3ccccc3N)cn2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FOKWESYJMZBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-12-13(16-8-17-14(12)20)19-7-9(6-18-19)10-4-2-3-5-11(10)15/h2-8H,15H2,1H3,(H,16,17,20).
What are the key properties of 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 283.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).