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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Related Compounds

5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
1-ethyl-3-methyl-5-N-(thian-4-ylmethyl)pyrazole-4,5-diamine
CID 113487270
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 106166404
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284

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).