4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide

C16H12Cl3N3O — CID 15580737

IUPAC4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3N3O/c17-11-3-1-10(2-4-11)16(23)20-15-7-8-22(21-15)12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,21,23)
InChIKeyRWCWVKBJWOVXTR-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide

4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide (PubChem CID 15580737) has the molecular formula C16H12Cl3N3O and a molecular weight of 368.65 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
PubChem CID15580737
Molecular FormulaC16H12Cl3N3O
Molecular Weight368.65 g/mol
Exact Mass367.00
IUPAC Name4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3N3O/c17-11-3-1-10(2-4-11)16(23)20-15-7-8-22(21-15)12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,21,23)
InChIKeyRWCWVKBJWOVXTR-UHFFFAOYSA-N
XLogP4.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 177061825
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 177062253
3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
CID 177062026
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
CID 177061894
CID 177061894
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 177062049
N-[2-(3-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]formamide
CID 177061778
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide (CID 15580737) is 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide?
The InChIKey is RWCWVKBJWOVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O/c17-11-3-1-10(2-4-11)16(23)20-15-7-8-22(21-15)12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,21,23).
What are the key properties of 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide?
4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide has a molecular weight of 368.65 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide is sourced from PubChem (CID 15580737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).