(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone

C14H15N3O2 — CID 175906944

IUPAC(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone
SMILES[2H]c1n[nH]c2c1CN(C(=O)[C@H](OC)c1ccccc1)C2
InChIInChI=1S/C14H15N3O2/c1-19-13(10-5-3-2-4-6-10)14(18)17-8-11-7-15-16-12(11)9-17/h2-7,13H,8-9H2,1H3,(H,15,16)/t13-/m1/s1/i7D
InChIKeyPIPDBVTXVWBPGA-FURZDYQQSA-N
MW258.30 g/mol
LogP1.64
Rot. Bonds3

About (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone

(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone (PubChem CID 175906944) has the molecular formula C14H15N3O2 and a molecular weight of 258.30 g/mol. Its IUPAC name is (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone
PubChem CID175906944
Molecular FormulaC14H15N3O2
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone
SMILES[2H]c1n[nH]c2c1CN(C(=O)[C@H](OC)c1ccccc1)C2
InChIInChI=1S/C14H15N3O2/c1-19-13(10-5-3-2-4-6-10)14(18)17-8-11-7-15-16-12(11)9-17/h2-7,13H,8-9H2,1H3,(H,15,16)/t13-/m1/s1/i7D
InChIKeyPIPDBVTXVWBPGA-FURZDYQQSA-N
XLogP1.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone with MolForge

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Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 120655534
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 11454872
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone?
The IUPAC name of (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone (CID 175906944) is (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone is [2H]c1n[nH]c2c1CN(C(=O)[C@H](OC)c1ccccc1)C2.
What is the InChIKey of (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone?
The InChIKey is PIPDBVTXVWBPGA-FURZDYQQSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13(10-5-3-2-4-6-10)14(18)17-8-11-7-15-16-12(11)9-17/h2-7,13H,8-9H2,1H3,(H,15,16)/t13-/m1/s1/i7D.
What are the key properties of (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone?
(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone has a molecular weight of 258.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone is sourced from PubChem (CID 175906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).