2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide

C15H9Cl3N4O — CID 99626160

IUPAC2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O/c16-9-3-4-10(12(18)8-9)15(23)20-13-5-7-22(21-13)14-11(17)2-1-6-19-14/h1-8H,(H,20,21,23)
InChIKeyWGMXVDKENUGOFQ-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.48
Rot. Bonds3

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

2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide (PubChem CID 99626160) has the molecular formula C15H9Cl3N4O and a molecular weight of 367.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
PubChem CID99626160
Molecular FormulaC15H9Cl3N4O
Molecular Weight367.62 g/mol
Exact Mass365.98
IUPAC Name2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O/c16-9-3-4-10(12(18)8-9)15(23)20-13-5-7-22(21-13)14-11(17)2-1-6-19-14/h1-8H,(H,20,21,23)
InChIKeyWGMXVDKENUGOFQ-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
CID 155948532
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
CID 155958138
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
CID 155957425
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
CID 46107029

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide (CID 99626160) is 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide is O=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide?
The InChIKey is WGMXVDKENUGOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O/c16-9-3-4-10(12(18)8-9)15(23)20-13-5-7-22(21-13)14-11(17)2-1-6-19-14/h1-8H,(H,20,21,23).
What are the key properties of 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide?
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide has a molecular weight of 367.62 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 99626160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).