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

C18H20F3N3O — CID 92711991

IUPAC(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c1-2-5-16-15-8-4-9-23(15)10-11-24(16)17(25)22-14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyUVKCOVPPCRLOES-INIZCTEOSA-N
MW351.37 g/mol
LogP4.90
Rot. Bonds3

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

(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 92711991) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID92711991
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c1-2-5-16-15-8-4-9-23(15)10-11-24(16)17(25)22-14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyUVKCOVPPCRLOES-INIZCTEOSA-N
XLogP4.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.90
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-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711989
(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42742140
1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3886767
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 102786005
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 110258799
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
(2S,3S)-2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97083086
6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965239

Frequently Asked Questions

What is the IUPAC name of (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 92711991) is (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UVKCOVPPCRLOES-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-5-16-15-8-4-9-23(15)10-11-24(16)17(25)22-14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 92711991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).