3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide

C14H11F5N4O3 — CID 141486765

IUPAC3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(=O)Nc2ccccc2OC(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C14H11F5N4O3/c1-23-6-7(10(22-23)11(15)16)12(24)21-13(25)20-8-4-2-3-5-9(8)26-14(17,18)19/h2-6,11H,1H3,(H2,20,21,24,25)
InChIKeyMZIPRELZNDAOHP-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.22
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide (PubChem CID 141486765) has the molecular formula C14H11F5N4O3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
PubChem CID141486765
Molecular FormulaC14H11F5N4O3
Molecular Weight378.26 g/mol
Exact Mass378.08
IUPAC Name3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(=O)Nc2ccccc2OC(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C14H11F5N4O3/c1-23-6-7(10(22-23)11(15)16)12(24)21-13(25)20-8-4-2-3-5-9(8)26-14(17,18)19/h2-6,11H,1H3,(H2,20,21,24,25)
InChIKeyMZIPRELZNDAOHP-UHFFFAOYSA-N
XLogP3.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
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N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
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CID 162621656
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1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
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3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide (CID 141486765) is 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC(=O)Nc2ccccc2OC(F)(F)F)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide?
The InChIKey is MZIPRELZNDAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N4O3/c1-23-6-7(10(22-23)11(15)16)12(24)21-13(25)20-8-4-2-3-5-9(8)26-14(17,18)19/h2-6,11H,1H3,(H2,20,21,24,25).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide is sourced from PubChem (CID 141486765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).