1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid

C14H11N3O2 — CID 2765904

IUPAC1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H11N3O2/c18-14(19)12-10-15-17(11-6-2-1-3-7-11)13(12)16-8-4-5-9-16/h1-10H,(H,18,19)
InChIKeyUOWVLCHBFVAAQI-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds3

About 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid

1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid (PubChem CID 2765904) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
PubChem CID2765904
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H11N3O2/c18-14(19)12-10-15-17(11-6-2-1-3-7-11)13(12)16-8-4-5-9-16/h1-10H,(H,18,19)
InChIKeyUOWVLCHBFVAAQI-UHFFFAOYSA-N
XLogP2.36
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid (CID 2765904) is 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid?
The InChIKey is UOWVLCHBFVAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)12-10-15-17(11-6-2-1-3-7-11)13(12)16-8-4-5-9-16/h1-10H,(H,18,19).
What are the key properties of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid?
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 2765904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).