1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C20H18F3N3O2 — CID 22980771

IUPAC1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(OCc2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-13-6-5-8-15(10-13)28-12-14-7-3-4-9-17(14)24-19(27)16-11-26(2)25-18(16)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyPOPGBNUKVDYRNZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.58
Rot. Bonds5

About 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 22980771) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID22980771
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(OCc2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-13-6-5-8-15(10-13)28-12-14-7-3-4-9-17(14)24-19(27)16-11-26(2)25-18(16)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyPOPGBNUKVDYRNZ-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 22980771) is 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cccc(OCc2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is POPGBNUKVDYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-6-5-8-15(10-13)28-12-14-7-3-4-9-17(14)24-19(27)16-11-26(2)25-18(16)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 22980771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).