6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid

C19H16N2O4 — CID 39377695

IUPAC6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccccc1)C2
InChIInChI=1S/C19H16N2O4/c1-24-15-9-11-8-14-17(19(22)23)20-21(12-6-4-3-5-7-12)18(14)13(11)10-16(15)25-2/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyRXUPYSBKYUAPKX-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.16
Rot. Bonds4

About 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid

6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid (PubChem CID 39377695) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
PubChem CID39377695
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccccc1)C2
InChIInChI=1S/C19H16N2O4/c1-24-15-9-11-8-14-17(19(22)23)20-21(12-6-4-3-5-7-12)18(14)13(11)10-16(15)25-2/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyRXUPYSBKYUAPKX-UHFFFAOYSA-N
XLogP3.16
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39342575
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
7-bromo-6-methoxy-1-thiophen-3-yl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 170971934
[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 39336062
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39035547
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743
1-(4-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038190
1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39313095

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid (CID 39377695) is 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid is COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccccc1)C2.
What is the InChIKey of 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The InChIKey is RXUPYSBKYUAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-15-9-11-8-14-17(19(22)23)20-21(12-6-4-3-5-7-12)18(14)13(11)10-16(15)25-2/h3-7,9-10H,8H2,1-2H3,(H,22,23).
What are the key properties of 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 39377695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).