N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C13H12N6OS — CID 103118045

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H12N6OS/c1-18-12(9(7-15-18)11(14)21)17-13(20)8-6-16-19-5-3-2-4-10(8)19/h2-7H,1H3,(H2,14,21)(H,17,20)
InChIKeyODJIMKBXOVHNPV-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.95
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103118045) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103118045
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H12N6OS/c1-18-12(9(7-15-18)11(14)21)17-13(20)8-6-16-19-5-3-2-4-10(8)19/h2-7H,1H3,(H2,14,21)(H,17,20)
InChIKeyODJIMKBXOVHNPV-UHFFFAOYSA-N
XLogP0.95
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyridine-4-carboxamide
CID 79499854
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,5-dichlorobenzamide
CID 79499109
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-fluoropyridine-4-carboxamide
CID 79500482
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-chloro-2-fluorobenzamide
CID 79499352
4-bromo-N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylbenzamide
CID 79500058
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
CID 79499113
N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 20875671
N-(3-amino-4-methylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115970
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79499856

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 103118045) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cn1ncc(C(N)=S)c1NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ODJIMKBXOVHNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-18-12(9(7-15-18)11(14)21)17-13(20)8-6-16-19-5-3-2-4-10(8)19/h2-7H,1H3,(H2,14,21)(H,17,20).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103118045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).