N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H20N4O2S — CID 111451693

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C)(O)c3ccsc3)c2n1
InChIInChI=1S/C17H20N4O2S/c1-10-7-11(2)21-15(19-10)14(12(3)20-21)16(22)18-9-17(4,23)13-5-6-24-8-13/h5-8,23H,9H2,1-4H3,(H,18,22)
InChIKeyDYOSHQUMEYPXMC-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.35
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 111451693) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID111451693
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C)(O)c3ccsc3)c2n1
InChIInChI=1S/C17H20N4O2S/c1-10-7-11(2)21-15(19-10)14(12(3)20-21)16(22)18-9-17(4,23)13-5-6-24-8-13/h5-8,23H,9H2,1-4H3,(H,18,22)
InChIKeyDYOSHQUMEYPXMC-UHFFFAOYSA-N
XLogP2.35
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451685
3-tert-butyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 111452270
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
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
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 111451693) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCC(C)(O)c3ccsc3)c2n1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DYOSHQUMEYPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-7-11(2)21-15(19-10)14(12(3)20-21)16(22)18-9-17(4,23)13-5-6-24-8-13/h5-8,23H,9H2,1-4H3,(H,18,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.35, 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)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111451693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).