1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C23H20F3N5O3 — CID 19273212

IUPAC1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C23H20F3N5O3/c1-33-19-5-7-20(8-6-19)34-15-30-10-9-21(29-30)22(32)28-18-12-27-31(14-18)13-16-3-2-4-17(11-16)23(24,25)26/h2-12,14H,13,15H2,1H3,(H,28,32)
InChIKeyLCHKSJIFKYGCRM-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.44
Rot. Bonds8

About 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide

1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19273212) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19273212
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C23H20F3N5O3/c1-33-19-5-7-20(8-6-19)34-15-30-10-9-21(29-30)22(32)28-18-12-27-31(14-18)13-16-3-2-4-17(11-16)23(24,25)26/h2-12,14H,13,15H2,1H3,(H,28,32)
InChIKeyLCHKSJIFKYGCRM-UHFFFAOYSA-N
XLogP4.44
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-phenylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273520
1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273812
N-(1-benzylpyrazol-4-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19397564
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19279996
1-[(4-methoxyphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273060
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19404073
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275405
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277213
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273301
3-[(4-tert-butylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346925

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19273212) is 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide is COc1ccc(OCn2ccc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is LCHKSJIFKYGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-33-19-5-7-20(8-6-19)34-15-30-10-9-21(29-30)22(32)28-18-12-27-31(14-18)13-16-3-2-4-17(11-16)23(24,25)26/h2-12,14H,13,15H2,1H3,(H,28,32).
What are the key properties of 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).