5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide

C13H11N7O — CID 122300381

IUPAC5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc(-n3cccn3)nc2)cn1
InChIInChI=1S/C13H11N7O/c1-9-5-15-11(8-14-9)12(21)19-10-6-16-13(17-7-10)20-4-2-3-18-20/h2-8H,1H3,(H,19,21)
InChIKeyKHRWYGIWSXIGKG-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide

5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide (PubChem CID 122300381) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
PubChem CID122300381
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc(-n3cccn3)nc2)cn1
InChIInChI=1S/C13H11N7O/c1-9-5-15-11(8-14-9)12(21)19-10-6-16-13(17-7-10)20-4-2-3-18-20/h2-8H,1H3,(H,19,21)
InChIKeyKHRWYGIWSXIGKG-UHFFFAOYSA-N
XLogP1.01
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
5-cyclopropyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122300307
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
1-methyl-2-oxo-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122300247
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967801
5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
CID 107247017
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide (CID 122300381) is 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cnc(-n3cccn3)nc2)cn1.
What is the InChIKey of 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide?
The InChIKey is KHRWYGIWSXIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-9-5-15-11(8-14-9)12(21)19-10-6-16-13(17-7-10)20-4-2-3-18-20/h2-8H,1H3,(H,19,21).
What are the key properties of 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide?
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 122300381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).