3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

C19H17F2N3O2 — CID 2356900

IUPAC3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17F2N3O2/c1-23(2)18(25)16-12-24(14-6-4-3-5-7-14)22-17(16)13-8-10-15(11-9-13)26-19(20)21/h3-12,19H,1-2H3
InChIKeySTYMGNSJQBSXNG-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.84
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2356900) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID2356900
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17F2N3O2/c1-23(2)18(25)16-12-24(14-6-4-3-5-7-14)22-17(16)13-8-10-15(11-9-13)26-19(20)21/h3-12,19H,1-2H3
InChIKeySTYMGNSJQBSXNG-UHFFFAOYSA-N
XLogP3.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (CID 2356900) is 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is STYMGNSJQBSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-23(2)18(25)16-12-24(14-6-4-3-5-7-14)22-17(16)13-8-10-15(11-9-13)26-19(20)21/h3-12,19H,1-2H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2356900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).