4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile

C14H23N5 — CID 100771443

IUPAC4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile
SMILESCCN1CCN(c2c(N)cc(C#N)n2C(C)C)CC1
InChIInChI=1S/C14H23N5/c1-4-17-5-7-18(8-6-17)14-13(16)9-12(10-15)19(14)11(2)3/h9,11H,4-8,16H2,1-3H3
InChIKeyMBFZIANQJLJKON-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile

4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile (PubChem CID 100771443) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile
PubChem CID100771443
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile
SMILESCCN1CCN(c2c(N)cc(C#N)n2C(C)C)CC1
InChIInChI=1S/C14H23N5/c1-4-17-5-7-18(8-6-17)14-13(16)9-12(10-15)19(14)11(2)3/h9,11H,4-8,16H2,1-3H3
InChIKeyMBFZIANQJLJKON-UHFFFAOYSA-N
XLogP1.66
TPSA61.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-[(2S)-butan-2-yl]pyrrole-2-carbonitrile
CID 100771845
4-amino-1-[(2S)-butan-2-yl]-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
CID 125062339
4-amino-5-(azepan-1-yl)-1-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100772073
4-amino-1-ethyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2-carbonitrile
CID 100771687
4-amino-5-(4-benzylpiperazin-1-yl)-1-cyclopentylpyrrole-2-carbonitrile
CID 100771974
2-(4-ethylpiperazin-1-yl)-5-methylpyridin-4-amine
CID 83265203
3-bromo-5-(4-ethylpiperazin-1-yl)benzonitrile
CID 102815136
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-1-butan-2-yl-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 133168442
3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
4-amino-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100770956

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile (CID 100771443) is 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile is CCN1CCN(c2c(N)cc(C#N)n2C(C)C)CC1.
What is the InChIKey of 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile?
The InChIKey is MBFZIANQJLJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-17-5-7-18(8-6-17)14-13(16)9-12(10-15)19(14)11(2)3/h9,11H,4-8,16H2,1-3H3.
What are the key properties of 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile?
4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 100771443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).