N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C23H21F3N4O3 — CID 112819212

IUPACN-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C23H21F3N4O3/c1-13(31)28-16-8-9-20(33-2)19(11-16)29-22(32)18-12-27-30(21(18)14-6-7-14)17-5-3-4-15(10-17)23(24,25)26/h3-5,8-12,14H,6-7H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNLYFJUBUYMKPIE-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.99
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 112819212) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID112819212
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C23H21F3N4O3/c1-13(31)28-16-8-9-20(33-2)19(11-16)29-22(32)18-12-27-30(21(18)14-6-7-14)17-5-3-4-15(10-17)23(24,25)26/h3-5,8-12,14H,6-7H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNLYFJUBUYMKPIE-UHFFFAOYSA-N
XLogP4.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(2,5-diethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819242
N-[2-chloro-5-(propanoylamino)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112836032
5-cyclopropyl-N-(3-pyrazol-1-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55765982
5-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819195
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873
5-cyclopropyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55806994
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819306
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 112819212) is N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NLYFJUBUYMKPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-13(31)28-16-8-9-20(33-2)19(11-16)29-22(32)18-12-27-30(21(18)14-6-7-14)17-5-3-4-15(10-17)23(24,25)26/h3-5,8-12,14H,6-7H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 112819212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).