(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile

C20H15N5 — CID 949664

IUPAC(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
SMILESCc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1
InChIInChI=1S/C20H15N5/c1-14-6-5-9-16(10-14)25-18(15-7-3-2-4-8-15)20(12-22,13-23)17(11-21)19(25)24/h2-10,18H,24H2,1H3/t18-/m1/s1
InChIKeySNTJIIZCJXPGLE-GOSISDBHSA-N
MW325.38 g/mol
LogP3.28
Rot. Bonds2

About (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile

(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile (PubChem CID 949664) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile.

Molecular Properties

Compound Name(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
PubChem CID949664
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
SMILESCc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1
InChIInChI=1S/C20H15N5/c1-14-6-5-9-16(10-14)25-18(15-7-3-2-4-8-15)20(12-22,13-23)17(11-21)19(25)24/h2-10,18H,24H2,1H3/t18-/m1/s1
InChIKeySNTJIIZCJXPGLE-GOSISDBHSA-N
XLogP3.28
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The IUPAC name of (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile (CID 949664) is (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile.
What is the SMILES notation for (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The canonical SMILES for (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile is Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The InChIKey is SNTJIIZCJXPGLE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-6-5-9-16(10-14)25-18(15-7-3-2-4-8-15)20(12-22,13-23)17(11-21)19(25)24/h2-10,18H,24H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
(2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-1-(3-methylphenyl)-2-phenyl-2H-pyrrole-3,3,4-tricarbonitrile is sourced from PubChem (CID 949664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).