5-amino-1-phenylpyrazole-4-carboxylic acid

C10H9N3O2 — CID 746814

IUPAC5-amino-1-phenylpyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKeyBFMGSMOYBHOHGI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-1-phenylpyrazole-4-carboxylic acid

5-amino-1-phenylpyrazole-4-carboxylic acid (PubChem CID 746814) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-amino-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-phenylpyrazole-4-carboxylic acid
PubChem CID746814
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-amino-1-phenylpyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKeyBFMGSMOYBHOHGI-UHFFFAOYSA-N
XLogP1.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-phenylpyrazole-4-carboxylic acid (CID 746814) is 5-amino-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-phenylpyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1-c1ccccc1.
What is the InChIKey of 5-amino-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is BFMGSMOYBHOHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15).
What are the key properties of 5-amino-1-phenylpyrazole-4-carboxylic acid?
5-amino-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 746814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).