1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one

C11H17N3O — CID 118493337

IUPAC1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
SMILESCCc1n[nH]c2c1CN(C(=O)C(C)C)C2
InChIInChI=1S/C11H17N3O/c1-4-9-8-5-14(11(15)7(2)3)6-10(8)13-12-9/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeySFRILMYLMACRKC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one

1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 118493337) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
PubChem CID118493337
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
SMILESCCc1n[nH]c2c1CN(C(=O)C(C)C)C2
InChIInChI=1S/C11H17N3O/c1-4-9-8-5-14(11(15)7(2)3)6-10(8)13-12-9/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeySFRILMYLMACRKC-UHFFFAOYSA-N
XLogP1.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one (CID 118493337) is 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one is CCc1n[nH]c2c1CN(C(=O)C(C)C)C2.
What is the InChIKey of 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is SFRILMYLMACRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-9-8-5-14(11(15)7(2)3)6-10(8)13-12-9/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 118493337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).