N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide

C24H21F3N4O3 — CID 123879209

IUPACN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=CC(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)ON1
InChIInChI=1S/C24H21F3N4O3/c1-33-20-5-3-2-4-17(20)18-12-21(34-30-18)23(32)28-15-8-10-16(11-9-15)31-19(14-6-7-14)13-22(29-31)24(25,26)27/h2-5,8-14,21,30H,6-7H2,1H3,(H,28,32)
InChIKeyNNTOUUBKMODLSF-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 123879209) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID123879209
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=CC(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)ON1
InChIInChI=1S/C24H21F3N4O3/c1-33-20-5-3-2-4-17(20)18-12-21(34-30-18)23(32)28-15-8-10-16(11-9-15)31-19(14-6-7-14)13-22(29-31)24(25,26)27/h2-5,8-14,21,30H,6-7H2,1H3,(H,28,32)
InChIKeyNNTOUUBKMODLSF-UHFFFAOYSA-N
XLogP4.66
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
CID 142797933
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-quinolin-6-ylacetamide
CID 52913841
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19614112
methyl 4-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563419
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 118182697
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)urea
CID 17374525
tert-butyl 4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 118166974
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 19563870
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 44589011
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 123879209) is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=CC(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)ON1.
What is the InChIKey of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NNTOUUBKMODLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-33-20-5-3-2-4-17(20)18-12-21(34-30-18)23(32)28-15-8-10-16(11-9-15)31-19(14-6-7-14)13-22(29-31)24(25,26)27/h2-5,8-14,21,30H,6-7H2,1H3,(H,28,32).
What are the key properties of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123879209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).