5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide

C10H8Cl2N4O — CID 58110912

IUPAC5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C10H8Cl2N4O/c11-6-2-1-3-7(8(6)12)16-9(13)5(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyFPTKLMZRUQWHDV-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.86
Rot. Bonds2

About 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide

5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide (PubChem CID 58110912) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
PubChem CID58110912
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C10H8Cl2N4O/c11-6-2-1-3-7(8(6)12)16-9(13)5(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyFPTKLMZRUQWHDV-UHFFFAOYSA-N
XLogP1.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide (CID 58110912) is 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1N.
What is the InChIKey of 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is FPTKLMZRUQWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-6-2-1-3-7(8(6)12)16-9(13)5(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17).
What are the key properties of 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide?
5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58110912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).