N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine

C12H22N4 — CID 103569652

IUPACN-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)NC2CCCC2)cn1
InChIInChI=1S/C12H22N4/c1-2-16-9-10(8-14-16)12(7-13)15-11-5-3-4-6-11/h8-9,11-12,15H,2-7,13H2,1H3
InChIKeySHXHNUALLIVMOV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.43
Rot. Bonds5

About N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine

N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103569652) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103569652
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)NC2CCCC2)cn1
InChIInChI=1S/C12H22N4/c1-2-16-9-10(8-14-16)12(7-13)15-11-5-3-4-6-11/h8-9,11-12,15H,2-7,13H2,1H3
InChIKeySHXHNUALLIVMOV-UHFFFAOYSA-N
XLogP1.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
CID 114178568
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569730
N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 114544603
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 115816197
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine (CID 103569652) is N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine is CCn1cc(C(CN)NC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is SHXHNUALLIVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-16-9-10(8-14-16)12(7-13)15-11-5-3-4-6-11/h8-9,11-12,15H,2-7,13H2,1H3.
What are the key properties of N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103569652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).