2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile

C14H13Cl2N3 — CID 71670443

IUPAC2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(Cc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C14H13Cl2N3/c1-8-9(2)19(14(18)12(8)6-17)7-10-3-4-11(15)5-13(10)16/h3-5H,7,18H2,1-2H3
InChIKeyIYCDERDIMZFQTD-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.91
Rot. Bonds2

About 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile

2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 71670443) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID71670443
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(Cc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C14H13Cl2N3/c1-8-9(2)19(14(18)12(8)6-17)7-10-3-4-11(15)5-13(10)16/h3-5H,7,18H2,1-2H3
InChIKeyIYCDERDIMZFQTD-UHFFFAOYSA-N
XLogP3.91
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2,4-difluorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 55052993
2-amino-1-(2,4-dichlorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159090
1-[(2,4-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole-4-carbonitrile
CID 17368193
2-amino-4,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrrole-3-carbonitrile
CID 43336932
4-amino-1-[(2,4-dichlorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 100772713
2-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 2743834
2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
CID 62847238
2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
CID 54949070
4-amino-1-[(2,4-dichlorophenyl)methyl]-5-phenoxypyrrole-2-carbonitrile
CID 100773363
6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 154172367
2-amino-1-(2,2-difluoroethyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 115408294
2-amino-1-(3-chloro-4-cyanophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43168456

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile (CID 71670443) is 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(Cc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is IYCDERDIMZFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-8-9(2)19(14(18)12(8)6-17)7-10-3-4-11(15)5-13(10)16/h3-5H,7,18H2,1-2H3.
What are the key properties of 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 294.19 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 71670443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).