5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide

C12H15N5OS — CID 137018301

IUPAC5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide
SMILESNC(=S)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C12H15N5OS/c13-11(19)8-6-15-17-9(5-10(18)16-12(8)17)7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H2,13,19)(H,16,18)
InChIKeyDELYWDUDPOEKDG-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.12
Rot. Bonds2

About 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide

5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide (PubChem CID 137018301) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide.

Molecular Properties

Compound Name5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide
PubChem CID137018301
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide
SMILESNC(=S)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C12H15N5OS/c13-11(19)8-6-15-17-9(5-10(18)16-12(8)17)7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H2,13,19)(H,16,18)
InChIKeyDELYWDUDPOEKDG-UHFFFAOYSA-N
XLogP0.12
TPSA88.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide?
The IUPAC name of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide (CID 137018301) is 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide.
What is the SMILES notation for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide?
The canonical SMILES for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide is NC(=S)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide?
The InChIKey is DELYWDUDPOEKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c13-11(19)8-6-15-17-9(5-10(18)16-12(8)17)7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H2,13,19)(H,16,18).
What are the key properties of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide?
5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide has a molecular weight of 277.35 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbothioamide is sourced from PubChem (CID 137018301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).