4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide

C10H6Cl3N3O — CID 16659765

IUPAC4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1n[nH]c(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-1-3-6(4-2-5)14-10(17)8-7(12)9(13)16-15-8/h1-4H,(H,14,17)(H,15,16)
InChIKeyDOXJWZOMMJNQDT-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.62
Rot. Bonds2

About 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide

4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659765) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID16659765
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC Name4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1n[nH]c(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-1-3-6(4-2-5)14-10(17)8-7(12)9(13)16-15-8/h1-4H,(H,14,17)(H,15,16)
InChIKeyDOXJWZOMMJNQDT-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide (CID 16659765) is 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1n[nH]c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DOXJWZOMMJNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-5-1-3-6(4-2-5)14-10(17)8-7(12)9(13)16-15-8/h1-4H,(H,14,17)(H,15,16).
What are the key properties of 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide?
4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 290.54 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).