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

C17H11Cl4N3O — CID 19347045

IUPAC2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl4N3O/c18-11-5-4-10(14(20)8-11)9-24-7-6-15(23-24)22-17(25)12-2-1-3-13(19)16(12)21/h1-8H,9H2,(H,22,23,25)
InChIKeyWMJCSTREIZPTPN-UHFFFAOYSA-N
MW415.11 g/mol
LogP5.80
Rot. Bonds4

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

2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19347045) has the molecular formula C17H11Cl4N3O and a molecular weight of 415.11 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19347045
Molecular FormulaC17H11Cl4N3O
Molecular Weight415.11 g/mol
Exact Mass412.97
IUPAC Name2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl4N3O/c18-11-5-4-10(14(20)8-11)9-24-7-6-15(23-24)22-17(25)12-2-1-3-13(19)16(12)21/h1-8H,9H2,(H,22,23,25)
InChIKeyWMJCSTREIZPTPN-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.11
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
CID 19394434
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498642
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
2-[3-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500207
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496248
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19345356
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19345280
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397360
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
CID 17380831

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19347045) is 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is WMJCSTREIZPTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4N3O/c18-11-5-4-10(14(20)8-11)9-24-7-6-15(23-24)22-17(25)12-2-1-3-13(19)16(12)21/h1-8H,9H2,(H,22,23,25).
What are the key properties of 2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 415.11 g/mol, XLogP of 5.80, 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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19347045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).