1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid

C12H9N3O2 — CID 136699631

IUPAC1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cnn2-c2ccccc2)[nH]1
InChIInChI=1S/C12H9N3O2/c16-12(17)9-6-11-10(14-9)7-13-15(11)8-4-2-1-3-5-8/h1-7,14H,(H,16,17)
InChIKeyPIWFHOAKWWBAAE-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.05
Rot. Bonds2

About 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid

1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid (PubChem CID 136699631) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid
PubChem CID136699631
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cnn2-c2ccccc2)[nH]1
InChIInChI=1S/C12H9N3O2/c16-12(17)9-6-11-10(14-9)7-13-15(11)8-4-2-1-3-5-8/h1-7,14H,(H,16,17)
InChIKeyPIWFHOAKWWBAAE-UHFFFAOYSA-N
XLogP2.05
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid (CID 136699631) is 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid is O=C(O)c1cc2c(cnn2-c2ccccc2)[nH]1.
What is the InChIKey of 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The InChIKey is PIWFHOAKWWBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12(17)9-6-11-10(14-9)7-13-15(11)8-4-2-1-3-5-8/h1-7,14H,(H,16,17).
What are the key properties of 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid?
1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 136699631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).