N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H22N4 — CID 106173235

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(CN)NCCC2=CCCC2)cn1
InChIInChI=1S/C13H22N4/c1-17-10-12(9-16-17)13(8-14)15-7-6-11-4-2-3-5-11/h4,9-10,13,15H,2-3,5-8,14H2,1H3
InChIKeyWCEWBYNACWJAJL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 106173235) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID106173235
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(CN)NCCC2=CCCC2)cn1
InChIInChI=1S/C13H22N4/c1-17-10-12(9-16-17)13(8-14)15-7-6-11-4-2-3-5-11/h4,9-10,13,15H,2-3,5-8,14H2,1H3
InChIKeyWCEWBYNACWJAJL-UHFFFAOYSA-N
XLogP1.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.51
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

N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768
1-(3-chloro-4-methylphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethane-1,2-diamine
CID 106173322
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111793716
1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-ethylguanidine
CID 111793697
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 106173235) is N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cn1cc(C(CN)NCCC2=CCCC2)cn1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is WCEWBYNACWJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-10-12(9-16-17)13(8-14)15-7-6-11-4-2-3-5-11/h4,9-10,13,15H,2-3,5-8,14H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 106173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).