5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

C18H21N3O — CID 59930376

IUPAC5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCC(C)Oc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1
InChIInChI=1S/C18H21N3O/c1-13(2)22-16-7-5-6-14(10-16)17-11-15(12-19)18(20-17)21-8-3-4-9-21/h5-7,10-11,13,20H,3-4,8-9H2,1-2H3
InChIKeyKPVNOLAQAAOHOH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.94
Rot. Bonds4

About 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 59930376) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID59930376
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCC(C)Oc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1
InChIInChI=1S/C18H21N3O/c1-13(2)22-16-7-5-6-14(10-16)17-11-15(12-19)18(20-17)21-8-3-4-9-21/h5-7,10-11,13,20H,3-4,8-9H2,1-2H3
InChIKeyKPVNOLAQAAOHOH-UHFFFAOYSA-N
XLogP3.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 59930298
5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930316
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255
2-(3-propan-2-yloxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720433
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82467053
1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
CID 118239176
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
ethyl 5-cyano-2-oxo-6-piperidin-1-yl-1H-pyridine-3-carboxylate
CID 14616716

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (CID 59930376) is 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is CC(C)Oc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1.
What is the InChIKey of 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is KPVNOLAQAAOHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)22-16-7-5-6-14(10-16)17-11-15(12-19)18(20-17)21-8-3-4-9-21/h5-7,10-11,13,20H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).