3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide

C19H16F3N3O2 — CID 42686502

IUPAC3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C)c1
InChIInChI=1S/C19H16F3N3O2/c1-11-16(23-18(26)13-4-3-5-15(10-13)27-2)17(25-24-11)12-6-8-14(9-7-12)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyMHSXKWXVUDIKHH-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.66
Rot. Bonds4

About 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide

3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide (PubChem CID 42686502) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
PubChem CID42686502
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C)c1
InChIInChI=1S/C19H16F3N3O2/c1-11-16(23-18(26)13-4-3-5-15(10-13)27-2)17(25-24-11)12-6-8-14(9-7-12)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyMHSXKWXVUDIKHH-UHFFFAOYSA-N
XLogP4.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide (CID 42686502) is 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide is COc1cccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C)c1.
What is the InChIKey of 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is MHSXKWXVUDIKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-16(23-18(26)13-4-3-5-15(10-13)27-2)17(25-24-11)12-6-8-14(9-7-12)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide?
3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 375.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).