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

C21H24N6O2S — CID 29022526

IUPAC5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C21H24N6O2S/c28-20(22-7-8-26-9-11-29-12-10-26)16-14-24-27(19(16)15-3-4-15)21-23-6-5-17(25-21)18-2-1-13-30-18/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,28)
InChIKeyZNLRBIGSMDGDIU-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.33
Rot. Bonds7

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

5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 29022526) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID29022526
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C21H24N6O2S/c28-20(22-7-8-26-9-11-29-12-10-26)16-14-24-27(19(16)15-3-4-15)21-23-6-5-17(25-21)18-2-1-13-30-18/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,28)
InChIKeyZNLRBIGSMDGDIU-UHFFFAOYSA-N
XLogP2.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.33
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-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 29022526) is 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZNLRBIGSMDGDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c28-20(22-7-8-26-9-11-29-12-10-26)16-14-24-27(19(16)15-3-4-15)21-23-6-5-17(25-21)18-2-1-13-30-18/h1-2,5-6,13-15H,3-4,7-12H2,(H,22,28).
What are the key properties of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.33, 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-morpholin-4-ylethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29022526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).