5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

C24H25F3N6O2 — CID 29085501

IUPAC5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-29-23(31-20)33-21(16-5-6-16)18(15-30-33)22(34)28-9-10-32-11-13-35-14-12-32/h1-4,7-8,15-16H,5-6,9-14H2,(H,28,34)
InChIKeyHZCHLGQNRRAMMD-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.29
Rot. Bonds7

About 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 29085501) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID29085501
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-29-23(31-20)33-21(16-5-6-16)18(15-30-33)22(34)28-9-10-32-11-13-35-14-12-32/h1-4,7-8,15-16H,5-6,9-14H2,(H,28,34)
InChIKeyHZCHLGQNRRAMMD-UHFFFAOYSA-N
XLogP3.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (CID 29085501) is 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is HZCHLGQNRRAMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-29-23(31-20)33-21(16-5-6-16)18(15-30-33)22(34)28-9-10-32-11-13-35-14-12-32/h1-4,7-8,15-16H,5-6,9-14H2,(H,28,34).
What are the key properties of 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-morpholin-4-ylethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 29085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).