5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

C23H22F3N5O2 — CID 45166299

IUPAC5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)C1CCOC1
InChIInChI=1S/C23H22F3N5O2/c1-30(15-9-11-33-13-15)21(32)17-12-28-31(20(17)14-6-7-14)22-27-10-8-19(29-22)16-4-2-3-5-18(16)23(24,25)26/h2-5,8,10,12,14-15H,6-7,9,11,13H2,1H3
InChIKeySXJAKJROGNLBKY-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.09
Rot. Bonds5

About 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide

5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 45166299) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID45166299
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)C1CCOC1
InChIInChI=1S/C23H22F3N5O2/c1-30(15-9-11-33-13-15)21(32)17-12-28-31(20(17)14-6-7-14)22-27-10-8-19(29-22)16-4-2-3-5-18(16)23(24,25)26/h2-5,8,10,12,14-15H,6-7,9,11,13H2,1H3
InChIKeySXJAKJROGNLBKY-UHFFFAOYSA-N
XLogP4.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 156009661
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3S)-oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168293393
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 72703164
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 72703371
[2-[[3-(4-Fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 72703376
[2-[[3-(4-Fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 72703596
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 72703999
[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90404845
1-(oxan-4-yl)-6-[(2-pyrimidin-5-ylphenyl)methyl]-5H-pyrazolo[4,5-c]pyridin-4-one
CID 136057603
[1-[5-[2-Methyl-5-(trifluoromethyl)-2H-pyrazol-3-yl]-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 138403784
1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-N-{[1-(4-morpholinyl)cyclopentyl]methyl}-1H-pyrazole-4-carboxamide
CID 28854259
2-{4-[(5-cyclopropyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethanol
CID 29255849

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide (CID 45166299) is 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)C1CCOC1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is SXJAKJROGNLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-30(15-9-11-33-13-15)21(32)17-12-28-31(20(17)14-6-7-14)22-27-10-8-19(29-22)16-4-2-3-5-18(16)23(24,25)26/h2-5,8,10,12,14-15H,6-7,9,11,13H2,1H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide?
5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(oxolan-3-yl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 45166299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).