2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide

C23H15ClF4N4O2 — CID 69086236

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF4N4O2/c24-19-11-15(23(26,27)28)13-29-21(19)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-16(25)4-8-18/h1-11,13H,12H2,(H,30,33)
InChIKeyLDTRFBPPMNQWNO-UHFFFAOYSA-N
MW490.84 g/mol
LogP5.80
Rot. Bonds6

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 69086236) has the molecular formula C23H15ClF4N4O2 and a molecular weight of 490.84 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID69086236
Molecular FormulaC23H15ClF4N4O2
Molecular Weight490.84 g/mol
Exact Mass490.08
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF4N4O2/c24-19-11-15(23(26,27)28)13-29-21(19)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-16(25)4-8-18/h1-11,13H,12H2,(H,30,33)
InChIKeyLDTRFBPPMNQWNO-UHFFFAOYSA-N
XLogP5.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.84
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 87687354
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydropyrrole-2-carboxamide
CID 70973021
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 19996056
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
3-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(4-methylphenoxy)phenyl]pyrazole-5-carboxamide
CID 141333802

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide (CID 69086236) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is LDTRFBPPMNQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O2/c24-19-11-15(23(26,27)28)13-29-21(19)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-16(25)4-8-18/h1-11,13H,12H2,(H,30,33).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 69086236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).