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

C20H17ClFN3O3 — CID 39335358

IUPACN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(F)c(Cl)c3)nn1C)C2
InChIInChI=1S/C20H17ClFN3O3/c1-25-19-12-9-17(28-3)16(27-2)7-10(12)6-13(19)18(24-25)20(26)23-11-4-5-15(22)14(21)8-11/h4-5,7-9H,6H2,1-3H3,(H,23,26)
InChIKeyAHEFALQEWXKVIW-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.05
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39335358) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39335358
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(F)c(Cl)c3)nn1C)C2
InChIInChI=1S/C20H17ClFN3O3/c1-25-19-12-9-17(28-3)16(27-2)7-10(12)6-13(19)18(24-25)20(26)23-11-4-5-15(22)14(21)8-11/h4-5,7-9H,6H2,1-3H3,(H,23,26)
InChIKeyAHEFALQEWXKVIW-UHFFFAOYSA-N
XLogP4.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39378410
8-chloro-N-(3,5-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000429
(3R,4R)-N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92654140
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422502
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 39337219
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
(3R,4R)-N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92653887
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 1242386
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39335358) is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(F)c(Cl)c3)nn1C)C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is AHEFALQEWXKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-25-19-12-9-17(28-3)16(27-2)7-10(12)6-13(19)18(24-25)20(26)23-11-4-5-15(22)14(21)8-11/h4-5,7-9H,6H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 401.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39335358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).