N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide

C21H18N4O2S — CID 44590562

IUPACN-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C21H18N4O2S/c1-13(2)24-21(27)15-6-3-5-14(11-15)17-8-9-22-20-16(12-23-25(17)20)19(26)18-7-4-10-28-18/h3-13H,1-2H3,(H,24,27)
InChIKeyKXKAUELURWMDFX-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.83
Rot. Bonds5

About N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide

N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (PubChem CID 44590562) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
PubChem CID44590562
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C21H18N4O2S/c1-13(2)24-21(27)15-6-3-5-14(11-15)17-8-9-22-20-16(12-23-25(17)20)19(26)18-7-4-10-28-18/h3-13H,1-2H3,(H,24,27)
InChIKeyKXKAUELURWMDFX-UHFFFAOYSA-N
XLogP3.83
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The IUPAC name of N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (CID 44590562) is N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is CC(C)NC(=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The InChIKey is KXKAUELURWMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13(2)24-21(27)15-6-3-5-14(11-15)17-8-9-22-20-16(12-23-25(17)20)19(26)18-7-4-10-28-18/h3-13H,1-2H3,(H,24,27).
What are the key properties of N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 44590562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).