5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile

C15H19N5 — CID 102809020

IUPAC5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile
SMILESCc1cc(C)c(-n2nc(N(C)C)c(C#N)c2N)c(C)c1
InChIInChI=1S/C15H19N5/c1-9-6-10(2)13(11(3)7-9)20-14(17)12(8-16)15(18-20)19(4)5/h6-7H,17H2,1-5H3
InChIKeySCQOHGMXJLQBBN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.32
Rot. Bonds2

About 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile

5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile (PubChem CID 102809020) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile
PubChem CID102809020
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile
SMILESCc1cc(C)c(-n2nc(N(C)C)c(C#N)c2N)c(C)c1
InChIInChI=1S/C15H19N5/c1-9-6-10(2)13(11(3)7-9)20-14(17)12(8-16)15(18-20)19(4)5/h6-7H,17H2,1-5H3
InChIKeySCQOHGMXJLQBBN-UHFFFAOYSA-N
XLogP2.32
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile (CID 102809020) is 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile is Cc1cc(C)c(-n2nc(N(C)C)c(C#N)c2N)c(C)c1.
What is the InChIKey of 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile?
The InChIKey is SCQOHGMXJLQBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-6-10(2)13(11(3)7-9)20-14(17)12(8-16)15(18-20)19(4)5/h6-7H,17H2,1-5H3.
What are the key properties of 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102809020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).