5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide

C14H12N6O2 — CID 850344

IUPAC5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N
InChIInChI=1S/C14H12N6O2/c15-13-10(14(16)21)7-19-20(13)11-6-12(18-8-17-11)22-9-4-2-1-3-5-9/h1-8H,15H2,(H2,16,21)
InChIKeyGXIIBPBQCHWSDY-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide

5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 850344) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID850344
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N
InChIInChI=1S/C14H12N6O2/c15-13-10(14(16)21)7-19-20(13)11-6-12(18-8-17-11)22-9-4-2-1-3-5-9/h1-8H,15H2,(H2,16,21)
InChIKeyGXIIBPBQCHWSDY-UHFFFAOYSA-N
XLogP1.14
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.14
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-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide (CID 850344) is 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N.
What is the InChIKey of 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is GXIIBPBQCHWSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c15-13-10(14(16)21)7-19-20(13)11-6-12(18-8-17-11)22-9-4-2-1-3-5-9/h1-8H,15H2,(H2,16,21).
What are the key properties of 5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide?
5-amino-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.14, 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-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 850344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).