N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H21F3N4O4S — CID 36765207

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O4S/c1-14-18(13-26-29(14)16-6-4-5-15(11-16)22(23,24)25)21(31)27-19-12-17(7-8-20(19)30)34(32,33)28-9-2-3-10-28/h4-8,11-13,30H,2-3,9-10H2,1H3,(H,27,31)
InChIKeyLNPJTZJOESPVLY-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.94
Rot. Bonds5

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 36765207) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID36765207
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O4S/c1-14-18(13-26-29(14)16-6-4-5-15(11-16)22(23,24)25)21(31)27-19-12-17(7-8-20(19)30)34(32,33)28-9-2-3-10-28/h4-8,11-13,30H,2-3,9-10H2,1H3,(H,27,31)
InChIKeyLNPJTZJOESPVLY-UHFFFAOYSA-N
XLogP3.94
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-piperidin-1-ylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 60549435
N-(3-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18206842
5-methyl-N-(2-piperidin-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55977893
methyl 2-hydroxy-3-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoate
CID 56543548
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035066
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18208842

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 36765207) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is LNPJTZJOESPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-14-18(13-26-29(14)16-6-4-5-15(11-16)22(23,24)25)21(31)27-19-12-17(7-8-20(19)30)34(32,33)28-9-2-3-10-28/h4-8,11-13,30H,2-3,9-10H2,1H3,(H,27,31).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 36765207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).