3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

C12H11Cl2N3O — CID 43399198

IUPAC3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyGBUXTMRIPAPFIG-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.59
Rot. Bonds2

About 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (PubChem CID 43399198) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
PubChem CID43399198
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyGBUXTMRIPAPFIG-UHFFFAOYSA-N
XLogP3.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
CID 43546454
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
CID 42874266
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dichlorobenzamide
CID 42686632
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 43547698
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
6-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 55042171
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392
N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62168366
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460066

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (CID 43399198) is 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is GBUXTMRIPAPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43399198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).