N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H15N5OS — CID 103117980

IUPACN-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1cnn2ccncc12
InChIInChI=1S/C13H15N5OS/c14-12(20)8-2-1-3-10(8)17-13(19)9-6-16-18-5-4-15-7-11(9)18/h4-8,10H,1-3H2,(H2,14,20)(H,17,19)
InChIKeyPMFLFOILONVAII-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.91
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103117980) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103117980
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1cnn2ccncc12
InChIInChI=1S/C13H15N5OS/c14-12(20)8-2-1-3-10(8)17-13(19)9-6-16-18-5-4-15-7-11(9)18/h4-8,10H,1-3H2,(H2,14,20)(H,17,19)
InChIKeyPMFLFOILONVAII-UHFFFAOYSA-N
XLogP0.91
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121138
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
CID 103123485
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120573
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117901
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120915
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103117980) is N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=S)C1CCCC1NC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is PMFLFOILONVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-12(20)8-2-1-3-10(8)17-13(19)9-6-16-18-5-4-15-7-11(9)18/h4-8,10H,1-3H2,(H2,14,20)(H,17,19).
What are the key properties of N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103117980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).