N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide

C12H11Cl2N3O — CID 832071

IUPACN-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-7-8(6-15-17)12(18)16-11-4-3-9(13)5-10(11)14/h3-7H,2H2,1H3,(H,16,18)
InChIKeyFDKHKUMOTHCPKK-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.46
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide

N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 832071) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide
PubChem CID832071
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-7-8(6-15-17)12(18)16-11-4-3-9(13)5-10(11)14/h3-7H,2H2,1H3,(H,16,18)
InChIKeyFDKHKUMOTHCPKK-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide (CID 832071) is N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is FDKHKUMOTHCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-17-7-8(6-15-17)12(18)16-11-4-3-9(13)5-10(11)14/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide?
N-(2,4-dichlorophenyl)-1-ethylpyrazole-4-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-(2,4-dichlorophenyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 832071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).