2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide

C25H23F3N4O2 — CID 137425531

IUPAC2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CCO
InChIInChI=1S/C25H23F3N4O2/c1-15-12-17(5-7-21(15)31(3)24(34)22-8-9-29-32(22)10-11-33)20-6-4-18-14-19(25(26,27)28)13-16(2)23(18)30-20/h4-9,12-14,33H,10-11H2,1-3H3
InChIKeyWMGHYNGAYCJRPI-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.00
Rot. Bonds5

About 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide

2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 137425531) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID137425531
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CCO
InChIInChI=1S/C25H23F3N4O2/c1-15-12-17(5-7-21(15)31(3)24(34)22-8-9-29-32(22)10-11-33)20-6-4-18-14-19(25(26,27)28)13-16(2)23(18)30-20/h4-9,12-14,33H,10-11H2,1-3H3
InChIKeyWMGHYNGAYCJRPI-UHFFFAOYSA-N
XLogP5.00
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425322
2-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 142520430
N,2-dimethyl-N-[2-methyl-4-[6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425541
2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 157178490
N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425147
N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137434668
methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 137425297
N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2H-triazole-4-carboxamide
CID 137425130
methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
CID 137425160
N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425480
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137425538

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide (CID 137425531) is 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(-c2ccc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is WMGHYNGAYCJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-15-12-17(5-7-21(15)31(3)24(34)22-8-9-29-32(22)10-11-33)20-6-4-18-14-19(25(26,27)28)13-16(2)23(18)30-20/h4-9,12-14,33H,10-11H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137425531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).