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

C15H28N4 — CID 106007196

IUPAC5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCCC1CCCC1
InChIInChI=1S/C15H28N4/c1-3-11-19-15(14(16)12(2)18-19)17-10-6-9-13-7-4-5-8-13/h13,17H,3-11,16H2,1-2H3
InChIKeyRSNLQRLRCPIOKA-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.57
Rot. Bonds7

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

5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 106007196) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID106007196
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCCC1CCCC1
InChIInChI=1S/C15H28N4/c1-3-11-19-15(14(16)12(2)18-19)17-10-6-9-13-7-4-5-8-13/h13,17H,3-11,16H2,1-2H3
InChIKeyRSNLQRLRCPIOKA-UHFFFAOYSA-N
XLogP3.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 106007196) is 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCCCC1CCCC1.
What is the InChIKey of 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is RSNLQRLRCPIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-11-19-15(14(16)12(2)18-19)17-10-6-9-13-7-4-5-8-13/h13,17H,3-11,16H2,1-2H3.
What are the key properties of 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 106007196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).