6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

C23H25N3O3 — CID 39378410

IUPAC6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(C)C)cc3)nn1C)C2
InChIInChI=1S/C23H25N3O3/c1-13(2)14-6-8-16(9-7-14)24-23(27)21-18-10-15-11-19(28-4)20(29-5)12-17(15)22(18)26(3)25-21/h6-9,11-13H,10H2,1-5H3,(H,24,27)
InChIKeyVQBDGQCZEFRHLR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.38
Rot. Bonds5

About 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39378410) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39378410
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(C)C)cc3)nn1C)C2
InChIInChI=1S/C23H25N3O3/c1-13(2)14-6-8-16(9-7-14)24-23(27)21-18-10-15-11-19(28-4)20(29-5)12-17(15)22(18)26(3)25-21/h6-9,11-13H,10H2,1-5H3,(H,24,27)
InChIKeyVQBDGQCZEFRHLR-UHFFFAOYSA-N
XLogP4.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]benzoic acid
CID 39378283
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39335358
N-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39377548
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 39309736
1-(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 39337219
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
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39313095
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39311103

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39378410) is 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(C)C)cc3)nn1C)C2.
What is the InChIKey of 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is VQBDGQCZEFRHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-13(2)14-6-8-16(9-7-14)24-23(27)21-18-10-15-11-19(28-4)20(29-5)12-17(15)22(18)26(3)25-21/h6-9,11-13H,10H2,1-5H3,(H,24,27).
What are the key properties of 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39378410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).