5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide

C8H8N6O — CID 23400189

IUPAC5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ncccn2)c1N
InChIInChI=1S/C8H8N6O/c9-6-5(7(10)15)4-13-14(6)8-11-2-1-3-12-8/h1-4H,9H2,(H2,10,15)
InChIKeyJQTCJFSLGHOBGE-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.66
Rot. Bonds2

About 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide

5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide (PubChem CID 23400189) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
PubChem CID23400189
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ncccn2)c1N
InChIInChI=1S/C8H8N6O/c9-6-5(7(10)15)4-13-14(6)8-11-2-1-3-12-8/h1-4H,9H2,(H2,10,15)
InChIKeyJQTCJFSLGHOBGE-UHFFFAOYSA-N
XLogP-0.66
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide (CID 23400189) is 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide is NC(=O)c1cnn(-c2ncccn2)c1N.
What is the InChIKey of 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The InChIKey is JQTCJFSLGHOBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-6-5(7(10)15)4-13-14(6)8-11-2-1-3-12-8/h1-4H,9H2,(H2,10,15).
What are the key properties of 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide has a molecular weight of 204.19 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 23400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).