(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone

C24H30N6O2 — CID 133108594

IUPAC(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccccc1C1CC(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)NN1
InChIInChI=1S/C24H30N6O2/c1-24(2,3)30-22(28-11-7-8-12-28)17-14-29(15-20(17)27-30)23(31)19-13-18(25-26-19)16-9-5-6-10-21(16)32-4/h5-12,18-19,25-26H,13-15H2,1-4H3
InChIKeyYHSQYLDGJBJAMI-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.89
Rot. Bonds4

About (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone

(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone (PubChem CID 133108594) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone
PubChem CID133108594
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccccc1C1CC(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)NN1
InChIInChI=1S/C24H30N6O2/c1-24(2,3)30-22(28-11-7-8-12-28)17-14-29(15-20(17)27-30)23(31)19-13-18(25-26-19)16-9-5-6-10-21(16)32-4/h5-12,18-19,25-26H,13-15H2,1-4H3
InChIKeyYHSQYLDGJBJAMI-UHFFFAOYSA-N
XLogP2.89
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
(2-bromophenyl)-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)methanone
CID 90501305
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-(2-iodophenyl)methanone
CID 90501308
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 133108597
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
3-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-1H-pyridazin-6-one
CID 90501225
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134127393
2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137259019
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone (CID 133108594) is (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone is COc1ccccc1C1CC(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)NN1.
What is the InChIKey of (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is YHSQYLDGJBJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-24(2,3)30-22(28-11-7-8-12-28)17-14-29(15-20(17)27-30)23(31)19-13-18(25-26-19)16-9-5-6-10-21(16)32-4/h5-12,18-19,25-26H,13-15H2,1-4H3.
What are the key properties of (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone?
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 133108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).