(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

C14H22N4O2 — CID 97462012

IUPAC(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1
InChIInChI=1S/C14H22N4O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17/h10H,4-9H2,1-3H3
InChIKeyUZFSNBBBTZERKL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds2

About (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 97462012) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID97462012
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1
InChIInChI=1S/C14H22N4O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17/h10H,4-9H2,1-3H3
InChIKeyUZFSNBBBTZERKL-UHFFFAOYSA-N
XLogP0.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 97462012) is (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is CC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.
What is the InChIKey of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is UZFSNBBBTZERKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17/h10H,4-9H2,1-3H3.
What are the key properties of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 97462012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).