5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C23H28N6O2S — CID 29029245

IUPAC5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1)N1CCOCC1
InChIInChI=1S/C23H28N6O2S/c1-23(2,28-9-11-31-12-10-28)15-25-21(30)17-14-26-29(20(17)16-5-6-16)22-24-8-7-18(27-22)19-4-3-13-32-19/h3-4,7-8,13-14,16H,5-6,9-12,15H2,1-2H3,(H,25,30)
InChIKeyJLQXVJRFWVKMRM-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.11
Rot. Bonds7

About 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 29029245) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID29029245
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1)N1CCOCC1
InChIInChI=1S/C23H28N6O2S/c1-23(2,28-9-11-31-12-10-28)15-25-21(30)17-14-26-29(20(17)16-5-6-16)22-24-8-7-18(27-22)19-4-3-13-32-19/h3-4,7-8,13-14,16H,5-6,9-12,15H2,1-2H3,(H,25,30)
InChIKeyJLQXVJRFWVKMRM-UHFFFAOYSA-N
XLogP3.11
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 29029245) is 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is CC(C)(CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is JLQXVJRFWVKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-23(2,28-9-11-31-12-10-28)15-25-21(30)17-14-26-29(20(17)16-5-6-16)22-24-8-7-18(27-22)19-4-3-13-32-19/h3-4,7-8,13-14,16H,5-6,9-12,15H2,1-2H3,(H,25,30).
What are the key properties of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29029245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).