5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H22N4 — CID 66026960

IUPAC5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1cc(C)cc(Nc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C15H22N4/c1-9(2)19-15(14(16)12(5)18-19)17-13-7-10(3)6-11(4)8-13/h6-9,17H,16H2,1-5H3
InChIKeyPIRJXPXEZKZEPP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.72
Rot. Bonds3

About 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66026960) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66026960
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1cc(C)cc(Nc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C15H22N4/c1-9(2)19-15(14(16)12(5)18-19)17-13-7-10(3)6-11(4)8-13/h6-9,17H,16H2,1-5H3
InChIKeyPIRJXPXEZKZEPP-UHFFFAOYSA-N
XLogP3.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66026960) is 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1cc(C)cc(Nc2c(N)c(C)nn2C(C)C)c1.
What is the InChIKey of 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PIRJXPXEZKZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-9(2)19-15(14(16)12(5)18-19)17-13-7-10(3)6-11(4)8-13/h6-9,17H,16H2,1-5H3.
What are the key properties of 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66026960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).