N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

C13H21N3 — CID 115974600

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)NCCC1=CCCC1
InChIInChI=1S/C13H21N3/c1-10(13-9-15-16-11(13)2)14-8-7-12-5-3-4-6-12/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyKKGQTFOTTCRPAT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 115974600) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID115974600
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)NCCC1=CCCC1
InChIInChI=1S/C13H21N3/c1-10(13-9-15-16-11(13)2)14-8-7-12-5-3-4-6-12/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyKKGQTFOTTCRPAT-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,4,6-trimethylphenyl)ethanamine
CID 106169878
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 113349091
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 113349092
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (CID 115974600) is N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is Cc1[nH]ncc1C(C)NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is KKGQTFOTTCRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(13-9-15-16-11(13)2)14-8-7-12-5-3-4-6-12/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 115974600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).