3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide

C15H16F3N3O3 — CID 19340821

IUPAC3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c1C
InChIInChI=1S/C15H16F3N3O3/c1-10-12(4-3-5-13(10)23-2)14(22)20-11-6-19-21(7-11)9-24-8-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyBRTDHBQYZZSBQG-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.99
Rot. Bonds6

About 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide

3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19340821) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19340821
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c1C
InChIInChI=1S/C15H16F3N3O3/c1-10-12(4-3-5-13(10)23-2)14(22)20-11-6-19-21(7-11)9-24-8-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyBRTDHBQYZZSBQG-UHFFFAOYSA-N
XLogP2.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide (CID 19340821) is 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide is COc1cccc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is BRTDHBQYZZSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-10-12(4-3-5-13(10)23-2)14(22)20-11-6-19-21(7-11)9-24-8-15(16,17)18/h3-7H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide?
3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 343.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).