1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one

C17H26N4O — CID 134077768

IUPAC1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one
SMILESCC(C)n1nc(CN2CCCC2=O)c2c1CN(CC1CC1)C2
InChIInChI=1S/C17H26N4O/c1-12(2)21-16-11-19(8-13-5-6-13)9-14(16)15(18-21)10-20-7-3-4-17(20)22/h12-13H,3-11H2,1-2H3
InChIKeyWNALKPCMBPKPTM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.31
Rot. Bonds5

About 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one

1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 134077768) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID134077768
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one
SMILESCC(C)n1nc(CN2CCCC2=O)c2c1CN(CC1CC1)C2
InChIInChI=1S/C17H26N4O/c1-12(2)21-16-11-19(8-13-5-6-13)9-14(16)15(18-21)10-20-7-3-4-17(20)22/h12-13H,3-11H2,1-2H3
InChIKeyWNALKPCMBPKPTM-UHFFFAOYSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one (CID 134077768) is 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one is CC(C)n1nc(CN2CCCC2=O)c2c1CN(CC1CC1)C2.
What is the InChIKey of 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is WNALKPCMBPKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12(2)21-16-11-19(8-13-5-6-13)9-14(16)15(18-21)10-20-7-3-4-17(20)22/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one?
1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(cyclopropylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 134077768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).