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

C17H11Cl2F3N4O2 — CID 69083738

IUPAC2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2F3N4O2/c18-11-7-13(19)15(23-9-11)26-14(5-6-25-26)16(27)24-8-10-1-3-12(4-2-10)28-17(20,21)22/h1-7,9H,8H2,(H,24,27)
InChIKeyJLGMCJLDHFLAFB-UHFFFAOYSA-N
MW431.20 g/mol
LogP4.40
Rot. Bonds5

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

2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 69083738) has the molecular formula C17H11Cl2F3N4O2 and a molecular weight of 431.20 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID69083738
Molecular FormulaC17H11Cl2F3N4O2
Molecular Weight431.20 g/mol
Exact Mass430.02
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2F3N4O2/c18-11-7-13(19)15(23-9-11)26-14(5-6-25-26)16(27)24-8-10-1-3-12(4-2-10)28-17(20,21)22/h1-7,9H,8H2,(H,24,27)
InChIKeyJLGMCJLDHFLAFB-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
CID 69083739
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 18468183

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide (CID 69083738) is 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is JLGMCJLDHFLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O2/c18-11-7-13(19)15(23-9-11)26-14(5-6-25-26)16(27)24-8-10-1-3-12(4-2-10)28-17(20,21)22/h1-7,9H,8H2,(H,24,27).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 431.20 g/mol, XLogP of 4.40, 5 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-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 69083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).