N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C15H24N4O2 — CID 97461996

IUPACN,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(CC1CCOCC1)C2
InChIInChI=1S/C15H24N4O2/c1-17(2)15(20)14-12-9-19(10-13(12)18(3)16-14)8-11-4-6-21-7-5-11/h11H,4-10H2,1-3H3
InChIKeyNNPWTDHLDHRJFP-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.86
Rot. Bonds3

About N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461996) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461996
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(CC1CCOCC1)C2
InChIInChI=1S/C15H24N4O2/c1-17(2)15(20)14-12-9-19(10-13(12)18(3)16-14)8-11-4-6-21-7-5-11/h11H,4-10H2,1-3H3
InChIKeyNNPWTDHLDHRJFP-UHFFFAOYSA-N
XLogP0.86
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461996) is N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CN(CC1CCOCC1)C2.
What is the InChIKey of N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is NNPWTDHLDHRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(2)15(20)14-12-9-19(10-13(12)18(3)16-14)8-11-4-6-21-7-5-11/h11H,4-10H2,1-3H3.
What are the key properties of N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).