2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide

C23H15Cl2F3N4O2 — CID 69084483

IUPAC2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C23H15Cl2F3N4O2/c24-16-11-19(25)21(29-13-16)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-15(4-8-18)23(26,27)28/h1-11,13H,12H2,(H,30,33)
InChIKeyMJDHQVCKKDZXQE-UHFFFAOYSA-N
MW507.30 g/mol
LogP6.32
Rot. Bonds6

About 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide

2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 69084483) has the molecular formula C23H15Cl2F3N4O2 and a molecular weight of 507.30 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
PubChem CID69084483
Molecular FormulaC23H15Cl2F3N4O2
Molecular Weight507.30 g/mol
Exact Mass506.05
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C23H15Cl2F3N4O2/c24-16-11-19(25)21(29-13-16)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-15(4-8-18)23(26,27)28/h1-11,13H,12H2,(H,30,33)
InChIKeyMJDHQVCKKDZXQE-UHFFFAOYSA-N
XLogP6.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.30
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 87687354
N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
CID 69083739
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008422
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide (CID 69084483) is 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccnn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is MJDHQVCKKDZXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N4O2/c24-16-11-19(25)21(29-13-16)32-20(9-10-31-32)22(33)30-12-14-1-5-17(6-2-14)34-18-7-3-15(4-8-18)23(26,27)28/h1-11,13H,12H2,(H,30,33).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide?
2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 507.30 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 69084483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).