3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide

C26H28Cl2N4O2 — CID 69163457

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC1(C)Oc2ccccc2C2=C1C(C(N)=O)(N1CC3CCCC3C1)NN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N4O2/c1-25(2)23-22(18-8-3-4-9-21(18)34-25)32(20-11-10-17(27)12-19(20)28)30-26(23,24(29)33)31-13-15-6-5-7-16(15)14-31/h3-4,8-12,15-16,30H,5-7,13-14H2,1-2H3,(H2,29,33)
InChIKeyNVXGBTYNRHIZFR-UHFFFAOYSA-N
MW499.44 g/mol
LogP4.81
Rot. Bonds3

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 69163457) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID69163457
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC1(C)Oc2ccccc2C2=C1C(C(N)=O)(N1CC3CCCC3C1)NN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N4O2/c1-25(2)23-22(18-8-3-4-9-21(18)34-25)32(20-11-10-17(27)12-19(20)28)30-26(23,24(29)33)31-13-15-6-5-7-16(15)14-31/h3-4,8-12,15-16,30H,5-7,13-14H2,1-2H3,(H2,29,33)
InChIKeyNVXGBTYNRHIZFR-UHFFFAOYSA-N
XLogP4.81
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
CID 24967573
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24964364
8-chloro-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxylic acid
CID 90921164
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide
CID 69236777
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-4-chlorophenyl)methanone
CID 115558668
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloroaniline
CID 115558894
[5-chloro-2-(triazol-2-yl)phenyl]-[(7S)-7-methyl-1,2,5-oxadiazepan-5-yl]methanone
CID 134279236
5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77109614
3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 115300934
3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
CID 63873145
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
4-[2-[1-(2,4-dichlorophenyl)ethylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42927104

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide (CID 69163457) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide is CC1(C)Oc2ccccc2C2=C1C(C(N)=O)(N1CC3CCCC3C1)NN2c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is NVXGBTYNRHIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c1-25(2)23-22(18-8-3-4-9-21(18)34-25)32(20-11-10-17(27)12-19(20)28)30-26(23,24(29)33)31-13-15-6-5-7-16(15)14-31/h3-4,8-12,15-16,30H,5-7,13-14H2,1-2H3,(H2,29,33).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 69163457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).