1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C19H14Cl2F3N3O — CID 2747069

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O/c1-11-9-17(26-27(11)10-12-14(20)6-4-7-15(12)21)18(28)25-16-8-3-2-5-13(16)19(22,23)24/h2-9H,10H2,1H3,(H,25,28)
InChIKeySHQXBCQUPBTQEN-UHFFFAOYSA-N
MW428.24 g/mol
LogP5.82
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 2747069) has the molecular formula C19H14Cl2F3N3O and a molecular weight of 428.24 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID2747069
Molecular FormulaC19H14Cl2F3N3O
Molecular Weight428.24 g/mol
Exact Mass427.05
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O/c1-11-9-17(26-27(11)10-12-14(20)6-4-7-15(12)21)18(28)25-16-8-3-2-5-13(16)19(22,23)24/h2-9H,10H2,1H3,(H,25,28)
InChIKeySHQXBCQUPBTQEN-UHFFFAOYSA-N
XLogP5.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.24
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 2747070
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
N-(2-fluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271500
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3628970
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339671

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 2747069) is 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is SHQXBCQUPBTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O/c1-11-9-17(26-27(11)10-12-14(20)6-4-7-15(12)21)18(28)25-16-8-3-2-5-13(16)19(22,23)24/h2-9H,10H2,1H3,(H,25,28).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 428.24 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2747069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).