ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C10H14N4O2 — CID 123800797

IUPACethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC.CNC(=O)c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C8H8N4O2.C2H6/c1-9-7(13)5-4-10-6-2-3-11-12(6)8(5)14;1-2/h2-4,11H,1H3,(H,9,13);1-2H3
InChIKeyMUGFAJBEAKGXAU-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.41
Rot. Bonds1

About ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 123800797) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID123800797
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Nameethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC.CNC(=O)c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C8H8N4O2.C2H6/c1-9-7(13)5-4-10-6-2-3-11-12(6)8(5)14;1-2/h2-4,11H,1H3,(H,9,13);1-2H3
InChIKeyMUGFAJBEAKGXAU-UHFFFAOYSA-N
XLogP0.41
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 123800797) is ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC.CNC(=O)c1cnc2cc[nH]n2c1=O.
What is the InChIKey of ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MUGFAJBEAKGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2.C2H6/c1-9-7(13)5-4-10-6-2-3-11-12(6)8(5)14;1-2/h2-4,11H,1H3,(H,9,13);1-2H3.
What are the key properties of ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 123800797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).