3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide

C11H9Cl2N3O3S — CID 155554584

IUPAC3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H9Cl2N3O3S/c1-20(18,19)16-11(17)10-5-9(14-15-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyMDZDHDAEKYPCRR-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.07
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide (PubChem CID 155554584) has the molecular formula C11H9Cl2N3O3S and a molecular weight of 334.18 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide
PubChem CID155554584
Molecular FormulaC11H9Cl2N3O3S
Molecular Weight334.18 g/mol
Exact Mass332.97
IUPAC Name3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H9Cl2N3O3S/c1-20(18,19)16-11(17)10-5-9(14-15-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyMDZDHDAEKYPCRR-UHFFFAOYSA-N
XLogP2.07
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 3123525
3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 47170036
3-(2,3,4-trichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 24178173
N'-(4-chlorobenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
CID 145976987
3-(3,5-dichlorophenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 177643115
3-(3-chlorophenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 177644093
3-tert-butyl-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 5342724
5-amino-4-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-3-methyl-1H-pyridazin-6-one
CID 2801195
3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide
CID 144845224
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 1539200
3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1539203

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide (CID 155554584) is 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide is CS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide?
The InChIKey is MDZDHDAEKYPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3S/c1-20(18,19)16-11(17)10-5-9(14-15-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide has a molecular weight of 334.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155554584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).