2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide

C17H12Cl3N3O — CID 86968465

IUPAC2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-12-4-6-13(7-5-12)23-10-11(9-22-23)8-21-17(24)14-2-1-3-15(19)16(14)20/h1-7,9-10H,8H2,(H,21,24)
InChIKeyBPOUSHHEBZLGLY-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.76
Rot. Bonds4

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

2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide (PubChem CID 86968465) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
PubChem CID86968465
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-12-4-6-13(7-5-12)23-10-11(9-22-23)8-21-17(24)14-2-1-3-15(19)16(14)20/h1-7,9-10H,8H2,(H,21,24)
InChIKeyBPOUSHHEBZLGLY-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
CID 86968645
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136902466
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 86968387
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 86968529
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide (CID 86968465) is 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide is O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide?
The InChIKey is BPOUSHHEBZLGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-12-4-6-13(7-5-12)23-10-11(9-22-23)8-21-17(24)14-2-1-3-15(19)16(14)20/h1-7,9-10H,8H2,(H,21,24).
What are the key properties of 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide?
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide has a molecular weight of 380.66 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 86968465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).