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

C26H32N6O2S — CID 31015864

IUPAC5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C26H32N6O2S/c33-24(28-18-26(9-2-1-3-10-26)31-12-14-34-15-13-31)20-17-29-32(23(20)19-6-7-19)25-27-11-8-21(30-25)22-5-4-16-35-22/h4-5,8,11,16-17,19H,1-3,6-7,9-10,12-15,18H2,(H,28,33)
InChIKeySTEMEVFERSKMQU-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.03
Rot. Bonds7

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

5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 31015864) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID31015864
Molecular FormulaC26H32N6O2S
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC Name5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C26H32N6O2S/c33-24(28-18-26(9-2-1-3-10-26)31-12-14-34-15-13-31)20-17-29-32(23(20)19-6-7-19)25-27-11-8-21(30-25)22-5-4-16-35-22/h4-5,8,11,16-17,19H,1-3,6-7,9-10,12-15,18H2,(H,28,33)
InChIKeySTEMEVFERSKMQU-UHFFFAOYSA-N
XLogP4.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide with MolForge

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5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 31015864) is 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is STEMEVFERSKMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c33-24(28-18-26(9-2-1-3-10-26)31-12-14-34-15-13-31)20-17-29-32(23(20)19-6-7-19)25-27-11-8-21(30-25)22-5-4-16-35-22/h4-5,8,11,16-17,19H,1-3,6-7,9-10,12-15,18H2,(H,28,33).
What are the key properties of 5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.03, 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-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31015864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).