3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide

C18H15F2N3O2 — CID 53197907

IUPAC3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2c(NC(=O)c3cc(F)cc(F)c3)n[nH]c2C)cc1
InChIInChI=1S/C18H15F2N3O2/c1-10-16(11-3-5-15(25-2)6-4-11)17(23-22-10)21-18(24)12-7-13(19)9-14(20)8-12/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyCUAOUJDXALBQLZ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.92
Rot. Bonds4

About 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide

3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide (PubChem CID 53197907) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
PubChem CID53197907
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2c(NC(=O)c3cc(F)cc(F)c3)n[nH]c2C)cc1
InChIInChI=1S/C18H15F2N3O2/c1-10-16(11-3-5-15(25-2)6-4-11)17(23-22-10)21-18(24)12-7-13(19)9-14(20)8-12/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyCUAOUJDXALBQLZ-UHFFFAOYSA-N
XLogP3.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide (CID 53197907) is 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide is COc1ccc(-c2c(NC(=O)c3cc(F)cc(F)c3)n[nH]c2C)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide?
The InChIKey is CUAOUJDXALBQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-10-16(11-3-5-15(25-2)6-4-11)17(23-22-10)21-18(24)12-7-13(19)9-14(20)8-12/h3-9H,1-2H3,(H2,21,22,23,24).
What are the key properties of 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide?
3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53197907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).