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

C18H14F3N3O2 — CID 139934935

IUPAC1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Oc2ccccc2)n1
InChIInChI=1S/C18H14F3N3O2/c1-24-11-15(17(23-24)26-14-8-3-2-4-9-14)16(25)22-13-7-5-6-12(10-13)18(19,20)21/h2-11H,1H3,(H,22,25)
InChIKeyITOQEBHDRKAQLH-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.48
Rot. Bonds4

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

1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 139934935) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID139934935
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Oc2ccccc2)n1
InChIInChI=1S/C18H14F3N3O2/c1-24-11-15(17(23-24)26-14-8-3-2-4-9-14)16(25)22-13-7-5-6-12(10-13)18(19,20)21/h2-11H,1H3,(H,22,25)
InChIKeyITOQEBHDRKAQLH-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 139934935) is 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Oc2ccccc2)n1.
What is the InChIKey of 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ITOQEBHDRKAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-24-11-15(17(23-24)26-14-8-3-2-4-9-14)16(25)22-13-7-5-6-12(10-13)18(19,20)21/h2-11H,1H3,(H,22,25).
What are the key properties of 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenoxy-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).