N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H16N4O2S — CID 111451685

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H16N4O2S/c1-10-12(13-16-5-3-6-19(13)18-10)14(20)17-9-15(2,21)11-4-7-22-8-11/h3-8,21H,9H2,1-2H3,(H,17,20)
InChIKeySGZPWFPOCGHFFU-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.74
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 111451685) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID111451685
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H16N4O2S/c1-10-12(13-16-5-3-6-19(13)18-10)14(20)17-9-15(2,21)11-4-7-22-8-11/h3-8,21H,9H2,1-2H3,(H,17,20)
InChIKeySGZPWFPOCGHFFU-UHFFFAOYSA-N
XLogP1.74
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451693
3-tert-butyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 111452270
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
CID 111452292
6-bromo-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 124888876
5-chloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 111478348
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 111451685) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SGZPWFPOCGHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-12(13-16-5-3-6-19(13)18-10)14(20)17-9-15(2,21)11-4-7-22-8-11/h3-8,21H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111451685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).