2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid

C15H13N3O2 — CID 3087987

IUPAC2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C15H13N3O2/c19-14(20)10-12-11-16-18(13-6-2-1-3-7-13)15(12)17-8-4-5-9-17/h1-9,11H,10H2,(H,19,20)
InChIKeyLPFNIPPCCXEEDT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.29
Rot. Bonds4

About 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid

2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid (PubChem CID 3087987) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid
PubChem CID3087987
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C15H13N3O2/c19-14(20)10-12-11-16-18(13-6-2-1-3-7-13)15(12)17-8-4-5-9-17/h1-9,11H,10H2,(H,19,20)
InChIKeyLPFNIPPCCXEEDT-UHFFFAOYSA-N
XLogP2.29
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid (CID 3087987) is 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid is O=C(O)Cc1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid?
The InChIKey is LPFNIPPCCXEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)10-12-11-16-18(13-6-2-1-3-7-13)15(12)17-8-4-5-9-17/h1-9,11H,10H2,(H,19,20).
What are the key properties of 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid?
2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 3087987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).