4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide

C12H10Cl2FN3O — CID 823289

IUPAC4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2F)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-2-18-11(14)9(13)10(17-18)12(19)16-8-6-4-3-5-7(8)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeySEQLSNYCYZAQFU-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.60
Rot. Bonds3

About 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide

4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 823289) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID823289
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2F)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-2-18-11(14)9(13)10(17-18)12(19)16-8-6-4-3-5-7(8)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeySEQLSNYCYZAQFU-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide (CID 823289) is 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccccc2F)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is SEQLSNYCYZAQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-2-18-11(14)9(13)10(17-18)12(19)16-8-6-4-3-5-7(8)15/h3-6H,2H2,1H3,(H,16,19).
What are the key properties of 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide?
4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 302.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-ethyl-N-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 823289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).