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

C25H22ClN3O3 — CID 56931865

IUPACN-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3)C1C2
InChIInChI=1S/C25H22ClN3O3/c1-31-21-13-16-12-20-23(19(16)14-22(21)32-2)28-29(24(20)15-6-4-3-5-7-15)25(30)27-18-10-8-17(26)9-11-18/h3-11,13-14,20,24H,12H2,1-2H3,(H,27,30)
InChIKeyCUDIYPHOFQUNMY-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.52
Rot. Bonds4

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

N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56931865) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56931865
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3)C1C2
InChIInChI=1S/C25H22ClN3O3/c1-31-21-13-16-12-20-23(19(16)14-22(21)32-2)28-29(24(20)15-6-4-3-5-7-15)25(30)27-18-10-8-17(26)9-11-18/h3-11,13-14,20,24H,12H2,1-2H3,(H,27,30)
InChIKeyCUDIYPHOFQUNMY-UHFFFAOYSA-N
XLogP5.52
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56663140
N-(4-chlorophenyl)-7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 45036584
3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide
CID 53388637
(3S,3aR)-N-(4-chlorophenyl)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 7195357
3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole
CID 53361341
5-(4-bromo-3,5-difluoro-2-methoxyphenyl)-N-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 88757204
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylsulfanylphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 45036589
1-[7-methoxy-3-(3,4,5-trimethoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]ethanone
CID 45029129
(7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
CID 6260537
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134087440
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
(4S)-N-(4-chlorophenyl)-2-oxo-4-phenylpyrrolidine-1-carboxamide
CID 6542346

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56931865) is N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3)C1C2.
What is the InChIKey of N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is CUDIYPHOFQUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-21-13-16-12-20-23(19(16)14-22(21)32-2)28-29(24(20)15-6-4-3-5-7-15)25(30)27-18-10-8-17(26)9-11-18/h3-11,13-14,20,24H,12H2,1-2H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56931865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).