[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone

C19H20N4O2 — CID 136890699

IUPAC[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-16-17-7-5-9-22(17)10-11-23(16)19(25)15-12-14(20-21-15)13-6-3-4-8-18(13)24/h3-9,12,16,24H,2,10-11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyKNISPEZQGFMCBU-MRXNPFEDSA-N
MW336.40 g/mol
LogP3.19
Rot. Bonds3

About [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone

[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 136890699) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID136890699
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-16-17-7-5-9-22(17)10-11-23(16)19(25)15-12-14(20-21-15)13-6-3-4-8-18(13)24/h3-9,12,16,24H,2,10-11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyKNISPEZQGFMCBU-MRXNPFEDSA-N
XLogP3.19
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 51495389
[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 51495377
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
CID 45253062
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
CID 95889426
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 84599756
(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 71877392
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 97156148
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460
1-cyclopropyl-3-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-methylpyridin-2-one
CID 172669006
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 70727929

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone (CID 136890699) is [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone is CC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is KNISPEZQGFMCBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-16-17-7-5-9-22(17)10-11-23(16)19(25)15-12-14(20-21-15)13-6-3-4-8-18(13)24/h3-9,12,16,24H,2,10-11H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone?
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 136890699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).