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

C25H20Cl2FN3O3 — CID 56683500

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-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(c3ccccc3Cl)C1C2
InChIInChI=1S/C25H20Cl2FN3O3/c1-33-21-10-13-9-17-23(16(13)12-22(21)34-2)30-31(24(17)15-5-3-4-6-18(15)26)25(32)29-14-7-8-20(28)19(27)11-14/h3-8,10-12,17,24H,9H2,1-2H3,(H,29,32)
InChIKeyGTFANLRHROZLHY-UHFFFAOYSA-N
MW500.36 g/mol
LogP6.32
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56683500) has the molecular formula C25H20Cl2FN3O3 and a molecular weight of 500.36 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56683500
Molecular FormulaC25H20Cl2FN3O3
Molecular Weight500.36 g/mol
Exact Mass499.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-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(c3ccccc3Cl)C1C2
InChIInChI=1S/C25H20Cl2FN3O3/c1-33-21-10-13-9-17-23(16(13)12-22(21)34-2)30-31(24(17)15-5-3-4-6-18(15)26)25(32)29-14-7-8-20(28)19(27)11-14/h3-8,10-12,17,24H,9H2,1-2H3,(H,29,32)
InChIKeyGTFANLRHROZLHY-UHFFFAOYSA-N
XLogP6.32
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.36
LogP ≤ 56.32
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-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56683500) is N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-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-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-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(c3ccccc3Cl)C1C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is GTFANLRHROZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O3/c1-33-21-10-13-9-17-23(16(13)12-22(21)34-2)30-31(24(17)15-5-3-4-6-18(15)26)25(32)29-14-7-8-20(28)19(27)11-14/h3-8,10-12,17,24H,9H2,1-2H3,(H,29,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 500.36 g/mol, XLogP of 6.32, 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-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56683500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).