3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide

C18H13F4N3O — CID 57466155

IUPAC3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)ccc2F)c(C(F)F)n1
InChIInChI=1S/C18H13F4N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-11(15)12-8-10(19)6-7-14(12)20/h2-9,17H,1H3,(H,23,26)
InChIKeyHKCXQVAHUZYOGK-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.56
Rot. Bonds4

About 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 57466155) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID57466155
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)ccc2F)c(C(F)F)n1
InChIInChI=1S/C18H13F4N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-11(15)12-8-10(19)6-7-14(12)20/h2-9,17H,1H3,(H,23,26)
InChIKeyHKCXQVAHUZYOGK-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide (CID 57466155) is 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2cc(F)ccc2F)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HKCXQVAHUZYOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-25-9-13(16(24-25)17(21)22)18(26)23-15-5-3-2-4-11(15)12-8-10(19)6-7-14(12)20/h2-9,17H,1H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 57466155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).