4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile

C16H19N3O — CID 100774591

IUPAC4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1Oc1cc(C)ccc1C
InChIInChI=1S/C16H19N3O/c1-4-7-19-13(10-17)9-14(18)16(19)20-15-8-11(2)5-6-12(15)3/h5-6,8-9H,4,7,18H2,1-3H3
InChIKeyQGZHYUYPORSZHG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds4

About 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile

4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile (PubChem CID 100774591) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile
PubChem CID100774591
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1Oc1cc(C)ccc1C
InChIInChI=1S/C16H19N3O/c1-4-7-19-13(10-17)9-14(18)16(19)20-15-8-11(2)5-6-12(15)3/h5-6,8-9H,4,7,18H2,1-3H3
InChIKeyQGZHYUYPORSZHG-UHFFFAOYSA-N
XLogP3.76
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
CID 100773761
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-5-(2-methyl-5-propan-2-ylphenoxy)-1-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100774919
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
CID 100772841
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
CID 100773756
4-amino-1-ethyl-5-(4-fluorophenoxy)pyrrole-2-carbonitrile
CID 100774114
4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile (CID 100774591) is 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile is CCCn1c(C#N)cc(N)c1Oc1cc(C)ccc1C.
What is the InChIKey of 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile?
The InChIKey is QGZHYUYPORSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-7-19-13(10-17)9-14(18)16(19)20-15-8-11(2)5-6-12(15)3/h5-6,8-9H,4,7,18H2,1-3H3.
What are the key properties of 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile?
4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile is sourced from PubChem (CID 100774591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).