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

C20H18N2O2 — CID 105422462

IUPAC1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
SMILESCc1cc2c(cc1C)-c1c(c(C(=O)O)nn1Cc1ccccc1)C2
InChIInChI=1S/C20H18N2O2/c1-12-8-15-10-17-18(20(23)24)21-22(11-14-6-4-3-5-7-14)19(17)16(15)9-13(12)2/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyMNSDOPUIPCJBCB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.82
Rot. Bonds3

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

1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid (PubChem CID 105422462) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
PubChem CID105422462
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
SMILESCc1cc2c(cc1C)-c1c(c(C(=O)O)nn1Cc1ccccc1)C2
InChIInChI=1S/C20H18N2O2/c1-12-8-15-10-17-18(20(23)24)21-22(11-14-6-4-3-5-7-14)19(17)16(15)9-13(12)2/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyMNSDOPUIPCJBCB-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
1-benzyl-5-(3,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94942456
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
1-benzyl-4,5-dihydrobenzo[g]indazole-3-carbaldehyde
CID 134834289
1-(2-methoxyethyl)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 28916964
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
5-amino-2-benzyltriazole-4-carboxylic acid
CID 84724246
diethyl 1-benzyl-4-iodopyrazole-3,5-dicarboxylate
CID 135309002
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82585852
6-bromo-N-(5-ethyl-2-methylheptyl)-1-[(4-methylphenyl)methyl]-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 70848935

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid (CID 105422462) is 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid is Cc1cc2c(cc1C)-c1c(c(C(=O)O)nn1Cc1ccccc1)C2.
What is the InChIKey of 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
The InChIKey is MNSDOPUIPCJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-8-15-10-17-18(20(23)24)21-22(11-14-6-4-3-5-7-14)19(17)16(15)9-13(12)2/h3-9H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid?
1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dimethyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 105422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).