(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H22BrN3O — CID 92725847

IUPAC(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)ccc1Br
InChIInChI=1S/C18H22BrN3O/c1-12(2)17-16-5-4-8-21(16)9-10-22(17)18(23)20-14-6-7-15(19)13(3)11-14/h4-8,11-12,17H,9-10H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyUFICJVWNRKKNGA-QGZVFWFLSA-N
MW376.30 g/mol
LogP4.80
Rot. Bonds2

About (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 92725847) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID92725847
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)ccc1Br
InChIInChI=1S/C18H22BrN3O/c1-12(2)17-16-5-4-8-21(16)9-10-22(17)18(23)20-14-6-7-15(19)13(3)11-14/h4-8,11-12,17H,9-10H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyUFICJVWNRKKNGA-QGZVFWFLSA-N
XLogP4.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(4-bromo-3-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711993
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92712035
N-(4-bromo-3-methylphenyl)-7-propan-2-yl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide
CID 46340755
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
N-(5-chloro-2-methoxyphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965172
methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate
CID 92712057
(1R)-N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387439
N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3425391
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
N-(3,4-dichlorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17486899
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
4-[(4-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904704

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 92725847) is (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1cc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)ccc1Br.
What is the InChIKey of (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UFICJVWNRKKNGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-12(2)17-16-5-4-8-21(16)9-10-22(17)18(23)20-14-6-7-15(19)13(3)11-14/h4-8,11-12,17H,9-10H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 92725847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).