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

C21H26N6O2S — CID 29258831

IUPACN-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C21H26N6O2S/c1-15(2)19-16(20(28)22-7-8-26-9-11-29-12-10-26)14-24-27(19)21-23-6-5-17(25-21)18-4-3-13-30-18/h3-6,13-15H,7-12H2,1-2H3,(H,22,28)
InChIKeyHGIAPQIBLMOGIQ-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.58
Rot. Bonds7

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

N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 29258831) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID29258831
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC NameN-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C21H26N6O2S/c1-15(2)19-16(20(28)22-7-8-26-9-11-29-12-10-26)14-24-27(19)21-23-6-5-17(25-21)18-4-3-13-30-18/h3-6,13-15H,7-12H2,1-2H3,(H,22,28)
InChIKeyHGIAPQIBLMOGIQ-UHFFFAOYSA-N
XLogP2.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 29258831) is N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2cccs2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is HGIAPQIBLMOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-15(2)19-16(20(28)22-7-8-26-9-11-29-12-10-26)14-24-27(19)21-23-6-5-17(25-21)18-4-3-13-30-18/h3-6,13-15H,7-12H2,1-2H3,(H,22,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29258831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).