1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide

C18H14F3N3O2 — CID 11302890

IUPAC1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-24-15(10-14(23-24)17(22)25)12-6-4-5-11(9-12)13-7-2-3-8-16(13)26-18(19,20)21/h2-10H,1H3,(H2,22,25)
InChIKeyLVAQKHCORHVZBT-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.75
Rot. Bonds4

About 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide

1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide (PubChem CID 11302890) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
PubChem CID11302890
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-24-15(10-14(23-24)17(22)25)12-6-4-5-11(9-12)13-7-2-3-8-16(13)26-18(19,20)21/h2-10H,1H3,(H2,22,25)
InChIKeyLVAQKHCORHVZBT-UHFFFAOYSA-N
XLogP3.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide (CID 11302890) is 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide is Cn1nc(C(N)=O)cc1-c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is LVAQKHCORHVZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-24-15(10-14(23-24)17(22)25)12-6-4-5-11(9-12)13-7-2-3-8-16(13)26-18(19,20)21/h2-10H,1H3,(H2,22,25).
What are the key properties of 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide?
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 11302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).