N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H27N3O — CID 20965231

IUPACN-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C20H27N3O/c1-5-16-8-6-7-9-17(16)21-20(24)23-13-12-22-15(4)10-11-18(22)19(23)14(2)3/h6-11,14,19H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyQTWIEMQXOBRIEA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.60
Rot. Bonds3

About N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965231) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965231
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C20H27N3O/c1-5-16-8-6-7-9-17(16)21-20(24)23-13-12-22-15(4)10-11-18(22)19(23)14(2)3/h6-11,14,19H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyQTWIEMQXOBRIEA-UHFFFAOYSA-N
XLogP4.60
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965231) is N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1C(C)C.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QTWIEMQXOBRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-16-8-6-7-9-17(16)21-20(24)23-13-12-22-15(4)10-11-18(22)19(23)14(2)3/h6-11,14,19H,5,12-13H2,1-4H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).