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

C25H20ClF2N3O3 — CID 53364310

IUPACN-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C25H20ClF2N3O3/c1-33-21-10-14-9-18-23(17(14)12-22(21)34-2)30-31(24(18)13-3-5-15(27)6-4-13)25(32)29-16-7-8-20(28)19(26)11-16/h3-8,10-12,18,24H,9H2,1-2H3,(H,29,32)
InChIKeyRCXGBUIXYHTOBH-UHFFFAOYSA-N
MW483.90 g/mol
LogP5.80
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 53364310) has the molecular formula C25H20ClF2N3O3 and a molecular weight of 483.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID53364310
Molecular FormulaC25H20ClF2N3O3
Molecular Weight483.90 g/mol
Exact Mass483.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C25H20ClF2N3O3/c1-33-21-10-14-9-18-23(17(14)12-22(21)34-2)30-31(24(18)13-3-5-15(27)6-4-13)25(32)29-16-7-8-20(28)19(26)11-16/h3-8,10-12,18,24H,9H2,1-2H3,(H,29,32)
InChIKeyRCXGBUIXYHTOBH-UHFFFAOYSA-N
XLogP5.80
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.90
LogP ≤ 55.80
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)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 53364310) is N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)C(c3ccc(F)cc3)C1C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is RCXGBUIXYHTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O3/c1-33-21-10-14-9-18-23(17(14)12-22(21)34-2)30-31(24(18)13-3-5-15(27)6-4-13)25(32)29-16-7-8-20(28)19(26)11-16/h3-8,10-12,18,24H,9H2,1-2H3,(H,29,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 483.90 g/mol, XLogP of 5.80, 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)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 53364310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).