(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone

C21H24N4O — CID 16672035

IUPAC(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCCC1c2ccc(C)n2CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-4-17-18-11-10-14(2)24(18)12-13-25(17)21(26)20-15(3)19(22-23-20)16-8-6-5-7-9-16/h5-11,17H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyVVZDKTFKSMTAMP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds3

About (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone

(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 16672035) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID16672035
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCCC1c2ccc(C)n2CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-4-17-18-11-10-14(2)24(18)12-13-25(17)21(26)20-15(3)19(22-23-20)16-8-6-5-7-9-16/h5-11,17H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyVVZDKTFKSMTAMP-UHFFFAOYSA-N
XLogP4.10
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone (CID 16672035) is (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone is CCC1c2ccc(C)n2CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C.
What is the InChIKey of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is VVZDKTFKSMTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-17-18-11-10-14(2)24(18)12-13-25(17)21(26)20-15(3)19(22-23-20)16-8-6-5-7-9-16/h5-11,17H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 16672035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).