[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine

C12H21N3O — CID 102999284

IUPAC[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
SMILESCn1cc(CCOC2(CN)CCCC2)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-11(8-14-15)4-7-16-12(10-13)5-2-3-6-12/h8-9H,2-7,10,13H2,1H3
InChIKeyHDRNWWXLJWNMAU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds5

About [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine

[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine (PubChem CID 102999284) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
PubChem CID102999284
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
SMILESCn1cc(CCOC2(CN)CCCC2)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-11(8-14-15)4-7-16-12(10-13)5-2-3-6-12/h8-9H,2-7,10,13H2,1H3
InChIKeyHDRNWWXLJWNMAU-UHFFFAOYSA-N
XLogP1.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
CID 103014414
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine (CID 102999284) is [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine is Cn1cc(CCOC2(CN)CCCC2)cn1.
What is the InChIKey of [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine?
The InChIKey is HDRNWWXLJWNMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-11(8-14-15)4-7-16-12(10-13)5-2-3-6-12/h8-9H,2-7,10,13H2,1H3.
What are the key properties of [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine?
[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine is sourced from PubChem (CID 102999284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).