[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine

C13H23N3O — CID 65051683

IUPAC[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
SMILESCCn1cc(COC2(CN)CCC(C)C2)cn1
InChIInChI=1S/C13H23N3O/c1-3-16-8-12(7-15-16)9-17-13(10-14)5-4-11(2)6-13/h7-8,11H,3-6,9-10,14H2,1-2H3
InChIKeyKICZJXSUUAFRHN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.94
Rot. Bonds5

About [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine

[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine (PubChem CID 65051683) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
PubChem CID65051683
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
SMILESCCn1cc(COC2(CN)CCC(C)C2)cn1
InChIInChI=1S/C13H23N3O/c1-3-16-8-12(7-15-16)9-17-13(10-14)5-4-11(2)6-13/h7-8,11H,3-6,9-10,14H2,1-2H3
InChIKeyKICZJXSUUAFRHN-UHFFFAOYSA-N
XLogP1.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
CID 65052254
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
[3-methyl-1-(quinolin-2-ylmethoxy)cyclopentyl]methanamine
CID 65051897
[1-(aminomethyl)-4-methylcyclohexyl]-(1-ethylpyrazol-4-yl)methanol
CID 103570954
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052350
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine (CID 65051683) is [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine is CCn1cc(COC2(CN)CCC(C)C2)cn1.
What is the InChIKey of [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine?
The InChIKey is KICZJXSUUAFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-8-12(7-15-16)9-17-13(10-14)5-4-11(2)6-13/h7-8,11H,3-6,9-10,14H2,1-2H3.
What are the key properties of [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine?
[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).