1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid

C16H14N4O3 — CID 135403044

IUPAC1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H14N4O3/c1-23-10-4-2-9(3-5-10)20-15-11(14(19-20)16(21)22)6-7-13-12(15)8-17-18-13/h2-5,8H,6-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyQDETZCNLKCSBIN-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid

1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid (PubChem CID 135403044) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid
PubChem CID135403044
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H14N4O3/c1-23-10-4-2-9(3-5-10)20-15-11(14(19-20)16(21)22)6-7-13-12(15)8-17-18-13/h2-5,8H,6-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyQDETZCNLKCSBIN-UHFFFAOYSA-N
XLogP2.07
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid (CID 135403044) is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid?
The InChIKey is QDETZCNLKCSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-23-10-4-2-9(3-5-10)20-15-11(14(19-20)16(21)22)6-7-13-12(15)8-17-18-13/h2-5,8H,6-7H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid?
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxylic acid is sourced from PubChem (CID 135403044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).