5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

C17H19N3O — CID 59930371

IUPAC5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCOc1ccc(-c2[nH]c(N3CCCC3)c(C#N)c2C)cc1
InChIInChI=1S/C17H19N3O/c1-12-15(11-18)17(20-9-3-4-10-20)19-16(12)13-5-7-14(21-2)8-6-13/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyDGZJMPRBFBHXCK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.47
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 59930371) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID59930371
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCOc1ccc(-c2[nH]c(N3CCCC3)c(C#N)c2C)cc1
InChIInChI=1S/C17H19N3O/c1-12-15(11-18)17(20-9-3-4-10-20)19-16(12)13-5-7-14(21-2)8-6-13/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyDGZJMPRBFBHXCK-UHFFFAOYSA-N
XLogP3.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 14144309
4-methyl-5-pyridin-3-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930320
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871296
4-(4-methoxyphenyl)-2-methyl-6-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]benzonitrile
CID 102254959
5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930452
3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
CID 102382833
2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
CID 23245548
8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
CID 24770247
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
CID 102236385

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (CID 59930371) is 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is COc1ccc(-c2[nH]c(N3CCCC3)c(C#N)c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is DGZJMPRBFBHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-15(11-18)17(20-9-3-4-10-20)19-16(12)13-5-7-14(21-2)8-6-13/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).