5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C13H24N4 — CID 66011257

IUPAC5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC1CCCC1
InChIInChI=1S/C13H24N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h11,15H,3-9,14H2,1-2H3
InChIKeyPAFULRGYEIQWPH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds5

About 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66011257) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66011257
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC1CCCC1
InChIInChI=1S/C13H24N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h11,15H,3-9,14H2,1-2H3
InChIKeyPAFULRGYEIQWPH-UHFFFAOYSA-N
XLogP2.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66011257) is 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCC1CCCC1.
What is the InChIKey of 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is PAFULRGYEIQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h11,15H,3-9,14H2,1-2H3.
What are the key properties of 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).