3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine

C15H30N4 — CID 106022611

IUPAC3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine
SMILESCCCCC(CCC)Nc1c(N)c(C)nn1CCC
InChIInChI=1S/C15H30N4/c1-5-8-10-13(9-6-2)17-15-14(16)12(4)18-19(15)11-7-3/h13,17H,5-11,16H2,1-4H3
InChIKeyPPFBLQMSTQBDJG-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.95
Rot. Bonds9

About 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine

3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine (PubChem CID 106022611) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine
PubChem CID106022611
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine
SMILESCCCCC(CCC)Nc1c(N)c(C)nn1CCC
InChIInChI=1S/C15H30N4/c1-5-8-10-13(9-6-2)17-15-14(16)12(4)18-19(15)11-7-3/h13,17H,5-11,16H2,1-4H3
InChIKeyPPFBLQMSTQBDJG-UHFFFAOYSA-N
XLogP3.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine (CID 106022611) is 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine is CCCCC(CCC)Nc1c(N)c(C)nn1CCC.
What is the InChIKey of 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine?
The InChIKey is PPFBLQMSTQBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-8-10-13(9-6-2)17-15-14(16)12(4)18-19(15)11-7-3/h13,17H,5-11,16H2,1-4H3.
What are the key properties of 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 106022611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).