1H-pyrazole;pyrimidine-2-carboxamide

C8H9N5O — CID 66664494

IUPAC1H-pyrazole;pyrimidine-2-carboxamide
SMILESNC(=O)c1ncccn1.c1cn[nH]c1
InChIInChI=1S/C5H5N3O.C3H4N2/c6-4(9)5-7-2-1-3-8-5;1-2-4-5-3-1/h1-3H,(H2,6,9);1-3H,(H,4,5)
InChIKeyMYTAICPIBFXOKZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.01
Rot. Bonds1

About 1H-pyrazole;pyrimidine-2-carboxamide

1H-pyrazole;pyrimidine-2-carboxamide (PubChem CID 66664494) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 1H-pyrazole;pyrimidine-2-carboxamide.

Molecular Properties

Compound Name1H-pyrazole;pyrimidine-2-carboxamide
PubChem CID66664494
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name1H-pyrazole;pyrimidine-2-carboxamide
SMILESNC(=O)c1ncccn1.c1cn[nH]c1
InChIInChI=1S/C5H5N3O.C3H4N2/c6-4(9)5-7-2-1-3-8-5;1-2-4-5-3-1/h1-3H,(H2,6,9);1-3H,(H,4,5)
InChIKeyMYTAICPIBFXOKZ-UHFFFAOYSA-N
XLogP-0.01
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;pyrimidine-2-carboxamide?
The IUPAC name of 1H-pyrazole;pyrimidine-2-carboxamide (CID 66664494) is 1H-pyrazole;pyrimidine-2-carboxamide.
What is the SMILES notation for 1H-pyrazole;pyrimidine-2-carboxamide?
The canonical SMILES for 1H-pyrazole;pyrimidine-2-carboxamide is NC(=O)c1ncccn1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;pyrimidine-2-carboxamide?
The InChIKey is MYTAICPIBFXOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C3H4N2/c6-4(9)5-7-2-1-3-8-5;1-2-4-5-3-1/h1-3H,(H2,6,9);1-3H,(H,4,5).
What are the key properties of 1H-pyrazole;pyrimidine-2-carboxamide?
1H-pyrazole;pyrimidine-2-carboxamide has a molecular weight of 191.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;pyrimidine-2-carboxamide is sourced from PubChem (CID 66664494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).