N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C25H21ClFN3O3 — CID 56673657

IUPACN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccccc3)C1C2
InChIInChI=1S/C25H21ClFN3O3/c1-32-21-11-15-10-18-23(17(15)13-22(21)33-2)29-30(24(18)14-6-4-3-5-7-14)25(31)28-16-8-9-20(27)19(26)12-16/h3-9,11-13,18,24H,10H2,1-2H3,(H,28,31)
InChIKeyNFTASTDQWAAGHW-UHFFFAOYSA-N
MW465.91 g/mol
LogP5.66
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56673657) has the molecular formula C25H21ClFN3O3 and a molecular weight of 465.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56673657
Molecular FormulaC25H21ClFN3O3
Molecular Weight465.91 g/mol
Exact Mass465.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccccc3)C1C2
InChIInChI=1S/C25H21ClFN3O3/c1-32-21-11-15-10-18-23(17(15)13-22(21)33-2)29-30(24(18)14-6-4-3-5-7-14)25(31)28-16-8-9-20(27)19(26)12-16/h3-9,11-13,18,24H,10H2,1-2H3,(H,28,31)
InChIKeyNFTASTDQWAAGHW-UHFFFAOYSA-N
XLogP5.66
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.91
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56673657) is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccccc3)C1C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is NFTASTDQWAAGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O3/c1-32-21-11-15-10-18-23(17(15)13-22(21)33-2)29-30(24(18)14-6-4-3-5-7-14)25(31)28-16-8-9-20(27)19(26)12-16/h3-9,11-13,18,24H,10H2,1-2H3,(H,28,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 465.91 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).