N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide

C12H11Cl2N3O — CID 841339

IUPACN-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-6-5-10(16-17)12(18)15-11-7-8(13)3-4-9(11)14/h3-7H,2H2,1H3,(H,15,18)
InChIKeyJFHGEZKEAMGUNV-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.46
Rot. Bonds3

About N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide

N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 841339) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID841339
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-6-5-10(16-17)12(18)15-11-7-8(13)3-4-9(11)14/h3-7H,2H2,1H3,(H,15,18)
InChIKeyJFHGEZKEAMGUNV-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-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
N-[(6S)-3-[(2,5-dichlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethylpyrazole-3-carboxamide
CID 28742003
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19262280
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
N,1-diethylpyrazole-3-carboxamide
CID 19262384
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide (CID 841339) is N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is JFHGEZKEAMGUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-17-6-5-10(16-17)12(18)15-11-7-8(13)3-4-9(11)14/h3-7H,2H2,1H3,(H,15,18).
What are the key properties of N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
N-(2,5-dichlorophenyl)-1-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-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 841339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).