N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H13ClF3N3O3 — CID 142428914

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1-c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H13ClF3N3O3/c1-10-16(20)17(19(21,22)23)25-26(10)13-4-2-3-11(7-13)18(27)24-12-5-6-14-15(8-12)29-9-28-14/h2-8H,9H2,1H3,(H,24,27)
InChIKeyJFDSETWQWXTFTI-UHFFFAOYSA-N
MW423.78 g/mol
LogP4.83
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 142428914) has the molecular formula C19H13ClF3N3O3 and a molecular weight of 423.78 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID142428914
Molecular FormulaC19H13ClF3N3O3
Molecular Weight423.78 g/mol
Exact Mass423.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1-c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H13ClF3N3O3/c1-10-16(20)17(19(21,22)23)25-26(10)13-4-2-3-11(7-13)18(27)24-12-5-6-14-15(8-12)29-9-28-14/h2-8H,9H2,1H3,(H,24,27)
InChIKeyJFDSETWQWXTFTI-UHFFFAOYSA-N
XLogP4.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 142428914) is N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is Cc1c(Cl)c(C(F)(F)F)nn1-c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is JFDSETWQWXTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O3/c1-10-16(20)17(19(21,22)23)25-26(10)13-4-2-3-11(7-13)18(27)24-12-5-6-14-15(8-12)29-9-28-14/h2-8H,9H2,1H3,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 423.78 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 142428914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).