3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C29H21F3N4O2 — CID 156904389

IUPAC3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C29H21F3N4O2/c1-19-9-11-20(12-10-19)27-26(18-36(35-27)23-6-3-2-4-7-23)28(37)34-22-14-21(29(30,31)32)15-25(16-22)38-24-8-5-13-33-17-24/h2-18H,1H3,(H,34,37)
InChIKeyWGEVAJLVPIUAIA-UHFFFAOYSA-N
MW514.51 g/mol
LogP7.31
Rot. Bonds6

About 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 156904389) has the molecular formula C29H21F3N4O2 and a molecular weight of 514.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID156904389
Molecular FormulaC29H21F3N4O2
Molecular Weight514.51 g/mol
Exact Mass514.16
IUPAC Name3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C29H21F3N4O2/c1-19-9-11-20(12-10-19)27-26(18-36(35-27)23-6-3-2-4-7-23)28(37)34-22-14-21(29(30,31)32)15-25(16-22)38-24-8-5-13-33-17-24/h2-18H,1H3,(H,34,37)
InChIKeyWGEVAJLVPIUAIA-UHFFFAOYSA-N
XLogP7.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281315
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate
CID 156904374
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 156904389) is 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WGEVAJLVPIUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O2/c1-19-9-11-20(12-10-19)27-26(18-36(35-27)23-6-3-2-4-7-23)28(37)34-22-14-21(29(30,31)32)15-25(16-22)38-24-8-5-13-33-17-24/h2-18H,1H3,(H,34,37).
What are the key properties of 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 514.51 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 156904389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).