8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid

C18H18N4O3 — CID 110458496

IUPAC8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
SMILESCOc1ccc(Cc2nn(C)c3c2-c2n[nH]c(C(=O)O)c2CC3)cc1
InChIInChI=1S/C18H18N4O3/c1-22-14-8-7-12-16(19-20-17(12)18(23)24)15(14)13(21-22)9-10-3-5-11(25-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyOFNLBQCOAVNHLE-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.21
Rot. Bonds4

About 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid

8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid (PubChem CID 110458496) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
PubChem CID110458496
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
SMILESCOc1ccc(Cc2nn(C)c3c2-c2n[nH]c(C(=O)O)c2CC3)cc1
InChIInChI=1S/C18H18N4O3/c1-22-14-8-7-12-16(19-20-17(12)18(23)24)15(14)13(21-22)9-10-3-5-11(25-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyOFNLBQCOAVNHLE-UHFFFAOYSA-N
XLogP2.21
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid with MolForge

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588360
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
CID 71059323
1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588157
3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498792
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
CID 175042275
3-[(4-methoxyphenyl)methyl]-1,2-oxazole-4-carboxylic acid
CID 91211734
4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 96598289
2-[4-chloro-3-[(4-methoxyphenyl)methyl]pyrazol-1-yl]acetic acid
CID 57115089
1-[3-[[4-(4-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157106284

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid (CID 110458496) is 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid is COc1ccc(Cc2nn(C)c3c2-c2n[nH]c(C(=O)O)c2CC3)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid?
The InChIKey is OFNLBQCOAVNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-14-8-7-12-16(19-20-17(12)18(23)24)15(14)13(21-22)9-10-3-5-11(25-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid?
8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid is sourced from PubChem (CID 110458496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).