4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide

C19H15Cl2N3O2 — CID 25249589

IUPAC4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-11-17(22-18(25)13-3-7-15(20)8-4-13)12(2)24(23-11)19(26)14-5-9-16(21)10-6-14/h3-10H,1-2H3,(H,22,25)
InChIKeyWOCUGBOVWGMICD-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.75
Rot. Bonds3

About 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide

4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide (PubChem CID 25249589) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide
PubChem CID25249589
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-11-17(22-18(25)13-3-7-15(20)8-4-13)12(2)24(23-11)19(26)14-5-9-16(21)10-6-14/h3-10H,1-2H3,(H,22,25)
InChIKeyWOCUGBOVWGMICD-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide (CID 25249589) is 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide is Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide?
The InChIKey is WOCUGBOVWGMICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-11-17(22-18(25)13-3-7-15(20)8-4-13)12(2)24(23-11)19(26)14-5-9-16(21)10-6-14/h3-10H,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide?
4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide has a molecular weight of 388.25 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorobenzoyl)-3,5-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 25249589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).