N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide

C45H45F7N6O6 — CID 167657237

IUPACN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccnn1C.Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3.C22H21F4N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)21-11-12-27-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h3-12,19,30H,13-15H2,1-2H3;2-11,17,30H,12-14H2,1H3
InChIKeyRKWKSAPPFCRVRS-UHFFFAOYSA-N
MW898.88 g/mol
LogP7.49
Rot. Bonds16

About N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 167657237) has the molecular formula C45H45F7N6O6 and a molecular weight of 898.88 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID167657237
Molecular FormulaC45H45F7N6O6
Molecular Weight898.88 g/mol
Exact Mass898.33
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccnn1C.Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3.C22H21F4N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)21-11-12-27-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h3-12,19,30H,13-15H2,1-2H3;2-11,17,30H,12-14H2,1H3
InChIKeyRKWKSAPPFCRVRS-UHFFFAOYSA-N
XLogP7.49
TPSA135.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.88
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

(4-((5-(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)phenyl)-1H-pyrazol-1-yl)methyl)phenyl)(pyrrolidin-1-yl)methanone
CID 90242099
[4-[[3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 90335155
[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110108706
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 156167074
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
CID 166010500
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 166010602
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167707132
1-[2-[(4-Acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]ethanone
CID 3414568
1-(3-fluorophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methylpyrazole-3-carboxamide
CID 72109558
1-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methylpyrazole-3-carboxamide
CID 95787028
1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methylpyrazole-3-carboxamide
CID 95787029
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
CID 110911249

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide (CID 167657237) is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccnn1C.Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is RKWKSAPPFCRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3.C22H21F4N3O3/c1-16-5-3-4-6-17(16)13-29(22(31)21-11-12-27-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h3-12,19,30H,13-15H2,1-2H3;2-11,17,30H,12-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 898.88 g/mol, XLogP of 7.49, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167657237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).