5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide

C10H9ClN4O — CID 2578228

IUPAC5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKeyWEZHZDJZVBEJET-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.21
Rot. Bonds2

About 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide

5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 2578228) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide
PubChem CID2578228
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKeyWEZHZDJZVBEJET-UHFFFAOYSA-N
XLogP1.21
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide (CID 2578228) is 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is WEZHZDJZVBEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16).
What are the key properties of 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide?
5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2578228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).