2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine

C14H25N3O — CID 104610827

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)C1(OC)CCCC1
InChIInChI=1S/C14H25N3O/c1-11-9-12(17(3)16-11)10-13(15-2)14(18-4)7-5-6-8-14/h9,13,15H,5-8,10H2,1-4H3
InChIKeyKSHUSAMGBCAODG-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.82
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine (PubChem CID 104610827) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
PubChem CID104610827
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)C1(OC)CCCC1
InChIInChI=1S/C14H25N3O/c1-11-9-12(17(3)16-11)10-13(15-2)14(18-4)7-5-6-8-14/h9,13,15H,5-8,10H2,1-4H3
InChIKeyKSHUSAMGBCAODG-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
[1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560494
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976
5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66048250

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine (CID 104610827) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine is CNC(Cc1cc(C)nn1C)C1(OC)CCCC1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The InChIKey is KSHUSAMGBCAODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-9-12(17(3)16-11)10-13(15-2)14(18-4)7-5-6-8-14/h9,13,15H,5-8,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine is sourced from PubChem (CID 104610827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).