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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 83
CID 137018276
US10118930, Example 100
CID 137018279
US10118930, Example 98
CID 137018284
US10118930, Example 99
CID 137018285
US10118930, Example 19
CID 137018318
US10118930, Example 324
CID 137018323
US10118930, Example 65
CID 137018334
US10118930, Example 91
CID 137018337

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).