N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C19H20N6OS — CID 52719539

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3cc(-c4cccs4)[nH]n3)c(C)n2n1
InChIInChI=1S/C19H20N6OS/c1-11-9-18-20-12(2)14(13(3)25(18)24-11)6-7-19(26)21-17-10-15(22-23-17)16-5-4-8-27-16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,26)
InChIKeyIMDYWBNUSRGDAA-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.68
Rot. Bonds5

About N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 52719539) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID52719539
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3cc(-c4cccs4)[nH]n3)c(C)n2n1
InChIInChI=1S/C19H20N6OS/c1-11-9-18-20-12(2)14(13(3)25(18)24-11)6-7-19(26)21-17-10-15(22-23-17)16-5-4-8-27-16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,26)
InChIKeyIMDYWBNUSRGDAA-UHFFFAOYSA-N
XLogP3.68
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539588
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
CID 6539591
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539614
3-methyl-1-phenyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 4404336
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
CID 4554103
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 44450492
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[(6-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 162643905
N-(3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-(thiophen-2-yl)acetamide
CID 7532449
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
US10233189, Example 56
CID 134165259
US10100058, Example 336
CID 134539467
US10100058, Example 212
CID 134539528

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 52719539) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3cc(-c4cccs4)[nH]n3)c(C)n2n1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is IMDYWBNUSRGDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-11-9-18-20-12(2)14(13(3)25(18)24-11)6-7-19(26)21-17-10-15(22-23-17)16-5-4-8-27-16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,26).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 380.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 52719539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).