1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C25H26N4O — CID 167939132

IUPAC1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)Cc3cccc4[nH]ccc34)c3c2CCC3)c(C)c1
InChIInChI=1S/C25H26N4O/c1-16-10-11-22(17(2)14-16)29-23-9-5-7-20(23)24(27-29)25(30)28(3)15-18-6-4-8-21-19(18)12-13-26-21/h4,6,8,10-14,26H,5,7,9,15H2,1-3H3
InChIKeyFEDXKLNOCYVFEO-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.73
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167939132) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID167939132
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)Cc3cccc4[nH]ccc34)c3c2CCC3)c(C)c1
InChIInChI=1S/C25H26N4O/c1-16-10-11-22(17(2)14-16)29-23-9-5-7-20(23)24(27-29)25(30)28(3)15-18-6-4-8-21-19(18)12-13-26-21/h4,6,8,10-14,26H,5,7,9,15H2,1-3H3
InChIKeyFEDXKLNOCYVFEO-UHFFFAOYSA-N
XLogP4.73
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 167939132) is 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)Cc3cccc4[nH]ccc34)c3c2CCC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FEDXKLNOCYVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-10-11-22(17(2)14-16)29-23-9-5-7-20(23)24(27-29)25(30)28(3)15-18-6-4-8-21-19(18)12-13-26-21/h4,6,8,10-14,26H,5,7,9,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167939132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).