(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H25N3O3 — CID 92711989

IUPAC(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC[C@H]1c2cccn2CCN1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-6-18-17-7-5-8-21(17)9-10-22(18)19(23)20-14-11-15(24-2)13-16(12-14)25-3/h5,7-8,11-13,18H,4,6,9-10H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyDXKSRGKMJBGLFO-SFHVURJKSA-N
MW343.43 g/mol
LogP3.89
Rot. Bonds5

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

(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 92711989) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID92711989
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC[C@H]1c2cccn2CCN1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-6-18-17-7-5-8-21(17)9-10-22(18)19(23)20-14-11-15(24-2)13-16(12-14)25-3/h5,7-8,11-13,18H,4,6,9-10H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyDXKSRGKMJBGLFO-SFHVURJKSA-N
XLogP3.89
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711991
(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
N-(4-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965018
(1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703545
1-benzyl-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965123
(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
1-(2,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580576
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
1-benzyl-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965114

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 92711989) is (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC[C@H]1c2cccn2CCN1C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is DXKSRGKMJBGLFO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-6-18-17-7-5-8-21(17)9-10-22(18)19(23)20-14-11-15(24-2)13-16(12-14)25-3/h5,7-8,11-13,18H,4,6,9-10H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 92711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).