(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H25N3O — CID 92712035

IUPAC(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)18-17-6-5-9-21(17)10-11-22(18)19(23)20-16-12-14(3)7-8-15(16)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,20,23)/t18-/m0/s1
InChIKeyVLFVBXBFBLXWQB-SFHVURJKSA-N
MW311.43 g/mol
LogP4.35
Rot. Bonds2

About (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 92712035) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID92712035
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)18-17-6-5-9-21(17)10-11-22(18)19(23)20-16-12-14(3)7-8-15(16)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,20,23)/t18-/m0/s1
InChIKeyVLFVBXBFBLXWQB-SFHVURJKSA-N
XLogP4.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92725847
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-(5-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711934
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 23877929
6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965221
N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965216
1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965127
(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 35526946
(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
(1R)-1-(2-methylphenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92949505

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 92712035) is (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(C)c(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c1.
What is the InChIKey of (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VLFVBXBFBLXWQB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)18-17-6-5-9-21(17)10-11-22(18)19(23)20-16-12-14(3)7-8-15(16)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 92712035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).