5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide

C16H16N6O2 — CID 171989037

IUPAC5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cc(-n2nc(C)c(C(N)=O)c2N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O2/c1-9-13(15(18)23)14(17)22(21-9)11-8-12(24-2)20-16(19-11)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3,(H2,18,23)
InChIKeyHQGNLSJCTSBMCI-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.33
Rot. Bonds4

About 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide

5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide (PubChem CID 171989037) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide
PubChem CID171989037
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cc(-n2nc(C)c(C(N)=O)c2N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O2/c1-9-13(15(18)23)14(17)22(21-9)11-8-12(24-2)20-16(19-11)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3,(H2,18,23)
InChIKeyHQGNLSJCTSBMCI-UHFFFAOYSA-N
XLogP1.33
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide (CID 171989037) is 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide is COc1cc(-n2nc(C)c(C(N)=O)c2N)nc(-c2ccccc2)n1.
What is the InChIKey of 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide?
The InChIKey is HQGNLSJCTSBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9-13(15(18)23)14(17)22(21-9)11-8-12(24-2)20-16(19-11)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3,(H2,18,23).
What are the key properties of 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide?
5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171989037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).