1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C20H17F4N3O — CID 134047410

IUPAC1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cnn1-c1ccccc1F
InChIInChI=1S/C20H17F4N3O/c1-13-15(11-25-27(13)18-10-6-5-9-17(18)21)19(28)26(2)12-14-7-3-4-8-16(14)20(22,23)24/h3-11H,12H2,1-2H3
InChIKeyHDSAGOQPOHMABJ-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 134047410) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID134047410
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cnn1-c1ccccc1F
InChIInChI=1S/C20H17F4N3O/c1-13-15(11-25-27(13)18-10-6-5-9-17(18)21)19(28)26(2)12-14-7-3-4-8-16(14)20(22,23)24/h3-11H,12H2,1-2H3
InChIKeyHDSAGOQPOHMABJ-UHFFFAOYSA-N
XLogP4.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 134047410) is 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is HDSAGOQPOHMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-13-15(11-25-27(13)18-10-6-5-9-17(18)21)19(28)26(2)12-14-7-3-4-8-16(14)20(22,23)24/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134047410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).