1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

C12H11N3O2 — CID 90787566

IUPAC1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cnn(-c3ccccc3)c2C1
InChIInChI=1S/C12H11N3O2/c16-12(17)14-7-9-6-13-15(11(9)8-14)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,16,17)
InChIKeyUKTHXTGEWTUUGW-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.87
Rot. Bonds1

About 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 90787566) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID90787566
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cnn(-c3ccccc3)c2C1
InChIInChI=1S/C12H11N3O2/c16-12(17)14-7-9-6-13-15(11(9)8-14)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,16,17)
InChIKeyUKTHXTGEWTUUGW-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 175218547
1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 128605086
1-[3-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 154856754
(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 154837729
N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 138049856
N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
CID 166208726
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 126827187
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527187
8-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)-4H-1,4-benzoxazin-3-one
CID 155947958
N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 166329520
[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166248144
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 90787566) is 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is O=C(O)N1Cc2cnn(-c3ccccc3)c2C1.
What is the InChIKey of 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is UKTHXTGEWTUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)14-7-9-6-13-15(11(9)8-14)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,16,17).
What are the key properties of 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 90787566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).