5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine

C13H22N4 — CID 106166404

IUPAC5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC1=CCCC1
InChIInChI=1S/C13H22N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h6,15H,3-5,7-9,14H2,1-2H3
InChIKeySVWAYNXZQNPEQR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.71
Rot. Bonds5

About 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 106166404) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID106166404
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC1=CCCC1
InChIInChI=1S/C13H22N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h6,15H,3-5,7-9,14H2,1-2H3
InChIKeySVWAYNXZQNPEQR-UHFFFAOYSA-N
XLogP2.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
2-(cyclopenten-1-yl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106174050
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 114153886
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 107845996
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
1-ethyl-3-methyl-5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4,5-diamine
CID 66012088
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
CID 66011672

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 106166404) is 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCC1=CCCC1.
What is the InChIKey of 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is SVWAYNXZQNPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-13(12(14)10(2)16-17)15-9-8-11-6-4-5-7-11/h6,15H,3-5,7-9,14H2,1-2H3.
What are the key properties of 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 106166404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).