4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile

C14H23N3O2 — CID 133168457

IUPAC4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
SMILESCCCCCn1c(C#N)cc(N)c1OC(C)COC
InChIInChI=1S/C14H23N3O2/c1-4-5-6-7-17-12(9-15)8-13(16)14(17)19-11(2)10-18-3/h8,11H,4-7,10,16H2,1-3H3
InChIKeyYNAGCOMGSUJQPU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.55
Rot. Bonds8

About 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile

4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile (PubChem CID 133168457) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
PubChem CID133168457
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
SMILESCCCCCn1c(C#N)cc(N)c1OC(C)COC
InChIInChI=1S/C14H23N3O2/c1-4-5-6-7-17-12(9-15)8-13(16)14(17)19-11(2)10-18-3/h8,11H,4-7,10,16H2,1-3H3
InChIKeyYNAGCOMGSUJQPU-UHFFFAOYSA-N
XLogP2.55
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile 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

4-amino-5-[(2S)-1-methoxypropan-2-yl]oxy-1-[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100773053
4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile
CID 133168460
4-amino-5-(2-methylpropyl)-1-pentylpyrrole-2-carbonitrile
CID 100767517
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-5-(1,3-benzodioxol-5-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 100774825
4-amino-1-butyl-5-chloropyrrole-2-carbonitrile
CID 100775495
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
CID 100772841
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile
CID 100772772

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile (CID 133168457) is 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile is CCCCCn1c(C#N)cc(N)c1OC(C)COC.
What is the InChIKey of 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile?
The InChIKey is YNAGCOMGSUJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-6-7-17-12(9-15)8-13(16)14(17)19-11(2)10-18-3/h8,11H,4-7,10,16H2,1-3H3.
What are the key properties of 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile?
4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile is sourced from PubChem (CID 133168457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).