5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C15H22N4 — CID 66027995

IUPAC5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N4/c1-5-8-19-15(14(16)12(4)18-19)17-13-7-6-10(2)11(3)9-13/h6-7,9,17H,5,8,16H2,1-4H3
InChIKeyLZGUXSDJWTUUJI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.54
Rot. Bonds4

About 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027995) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66027995
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N4/c1-5-8-19-15(14(16)12(4)18-19)17-13-7-6-10(2)11(3)9-13/h6-7,9,17H,5,8,16H2,1-4H3
InChIKeyLZGUXSDJWTUUJI-UHFFFAOYSA-N
XLogP3.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 66027995) is 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1.
What is the InChIKey of 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is LZGUXSDJWTUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-8-19-15(14(16)12(4)18-19)17-13-7-6-10(2)11(3)9-13/h6-7,9,17H,5,8,16H2,1-4H3.
What are the key properties of 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).