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

C25H30N6O2S — CID 29022291

IUPAC5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C25H30N6O2S/c32-23(27-17-25(8-1-2-9-25)30-11-13-33-14-12-30)19-16-28-31(22(19)18-5-6-18)24-26-10-7-20(29-24)21-4-3-15-34-21/h3-4,7,10,15-16,18H,1-2,5-6,8-9,11-14,17H2,(H,27,32)
InChIKeyKOJVFNCUYPOGLY-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.64
Rot. Bonds7

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

5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 29022291) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID29022291
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Name5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C25H30N6O2S/c32-23(27-17-25(8-1-2-9-25)30-11-13-33-14-12-30)19-16-28-31(22(19)18-5-6-18)24-26-10-7-20(29-24)21-4-3-15-34-21/h3-4,7,10,15-16,18H,1-2,5-6,8-9,11-14,17H2,(H,27,32)
InChIKeyKOJVFNCUYPOGLY-UHFFFAOYSA-N
XLogP3.64
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 29022291) is 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is KOJVFNCUYPOGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c32-23(27-17-25(8-1-2-9-25)30-11-13-33-14-12-30)19-16-28-31(22(19)18-5-6-18)24-26-10-7-20(29-24)21-4-3-15-34-21/h3-4,7,10,15-16,18H,1-2,5-6,8-9,11-14,17H2,(H,27,32).
What are the key properties of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29022291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).