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

C13H15N5OS — CID 103117901

IUPACN-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=S)C1(NC(=O)c2cnn3ccncc23)CCCC1
InChIInChI=1S/C13H15N5OS/c14-12(20)13(3-1-2-4-13)17-11(19)9-7-16-18-6-5-15-8-10(9)18/h5-8H,1-4H2,(H2,14,20)(H,17,19)
InChIKeyWCTFJYXMSXKVTI-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.06
Rot. Bonds3

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

N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103117901) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103117901
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=S)C1(NC(=O)c2cnn3ccncc23)CCCC1
InChIInChI=1S/C13H15N5OS/c14-12(20)13(3-1-2-4-13)17-11(19)9-7-16-18-6-5-15-8-10(9)18/h5-8H,1-4H2,(H2,14,20)(H,17,19)
InChIKeyWCTFJYXMSXKVTI-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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-(1-cyanocyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117747
N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117754
(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
CID 103123485
3-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiolane-3-carboxylic acid
CID 103116686
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117980
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122741
N-[1-[[(3-methoxy-2-methylpropanoyl)amino]methyl]cyclopentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167817041
N-[(1R,2R)-2-aminocyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121138
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103117901) is N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=S)C1(NC(=O)c2cnn3ccncc23)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is WCTFJYXMSXKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-12(20)13(3-1-2-4-13)17-11(19)9-7-16-18-6-5-15-8-10(9)18/h5-8H,1-4H2,(H2,14,20)(H,17,19).
What are the key properties of N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103117901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).