5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C8H8N4OS — CID 19022424

IUPAC5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=S)n2[nH]cc(C(N)=O)c2n1
InChIInChI=1S/C8H8N4OS/c1-4-2-6(14)12-8(11-4)5(3-10-12)7(9)13/h2-3,10H,1H3,(H2,9,13)
InChIKeyJOCURGCNKSYRKM-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19022424) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19022424
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=S)n2[nH]cc(C(N)=O)c2n1
InChIInChI=1S/C8H8N4OS/c1-4-2-6(14)12-8(11-4)5(3-10-12)7(9)13/h2-3,10H,1H3,(H2,9,13)
InChIKeyJOCURGCNKSYRKM-UHFFFAOYSA-N
XLogP0.80
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19022424) is 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=S)n2[nH]cc(C(N)=O)c2n1.
What is the InChIKey of 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JOCURGCNKSYRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-4-2-6(14)12-8(11-4)5(3-10-12)7(9)13/h2-3,10H,1H3,(H2,9,13).
What are the key properties of 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-sulfanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19022424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).