2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile

C14H15N3 — CID 102257856

IUPAC2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile
SMILESCc1cc(C#N)c(N)n1C(C)c1ccccc1
InChIInChI=1S/C14H15N3/c1-10-8-13(9-15)14(16)17(10)11(2)12-6-4-3-5-7-12/h3-8,11H,16H2,1-2H3
InChIKeyMWRSBYBMZKNFFF-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.86
Rot. Bonds2

About 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile

2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile (PubChem CID 102257856) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile
PubChem CID102257856
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile
SMILESCc1cc(C#N)c(N)n1C(C)c1ccccc1
InChIInChI=1S/C14H15N3/c1-10-8-13(9-15)14(16)17(10)11(2)12-6-4-3-5-7-12/h3-8,11H,16H2,1-2H3
InChIKeyMWRSBYBMZKNFFF-UHFFFAOYSA-N
XLogP2.86
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile
CID 6712478
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
3-amino-4-cyano-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide
CID 21143795
2-(chloromethyl)-1-(1-phenylethyl)benzimidazole-4-carbonitrile
CID 104719189
5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81137999
[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791694
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole
CID 8878480
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
1-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-6-oxopyridine-3-carbonitrile
CID 139467854
4-methyl-1-(1-phenylethyl)pyrazol-5-amine
CID 43148081

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile (CID 102257856) is 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile is Cc1cc(C#N)c(N)n1C(C)c1ccccc1.
What is the InChIKey of 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile?
The InChIKey is MWRSBYBMZKNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-8-13(9-15)14(16)17(10)11(2)12-6-4-3-5-7-12/h3-8,11H,16H2,1-2H3.
What are the key properties of 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile?
2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 102257856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).