N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide

C12H11Cl2N3O — CID 1224613

IUPACN-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,16,18)
InChIKeyNYHVPBDVLVTAGW-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.46
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide

N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 1224613) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID1224613
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,16,18)
InChIKeyNYHVPBDVLVTAGW-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
N-(3-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739812
N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
N-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
1-(3,5-Dichloro-phenyl)-3-(2-methyl-2H-pyrazole-3-carbonyl)-thiourea
CID 755207
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N,N'-bis(4-chlorophenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 1838027

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide (CID 1224613) is N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is NYHVPBDVLVTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-8-3-4-9(13)10(14)7-8/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 1224613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).