5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide

C21H23N5O2S — CID 45168394

IUPAC5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C21H23N5O2S/c1-13-10-22-21(24-18(13)17-4-3-9-29-17)26-19(14-5-6-14)16(11-23-26)20(27)25(2)15-7-8-28-12-15/h3-4,9-11,14-15H,5-8,12H2,1-2H3
InChIKeyQTOSJDNDQIJRLB-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.44
Rot. Bonds5

About 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 45168394) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID45168394
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C21H23N5O2S/c1-13-10-22-21(24-18(13)17-4-3-9-29-17)26-19(14-5-6-14)16(11-23-26)20(27)25(2)15-7-8-28-12-15/h3-4,9-11,14-15H,5-8,12H2,1-2H3
InChIKeyQTOSJDNDQIJRLB-UHFFFAOYSA-N
XLogP3.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide (CID 45168394) is 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is QTOSJDNDQIJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-10-22-21(24-18(13)17-4-3-9-29-17)26-19(14-5-6-14)16(11-23-26)20(27)25(2)15-7-8-28-12-15/h3-4,9-11,14-15H,5-8,12H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45168394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).