3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine

C13H23N3O — CID 114277847

IUPAC3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2ccnn2CCOC)C1
InChIInChI=1S/C13H23N3O/c1-13(6-4-11(10-13)14-2)12-5-7-15-16(12)8-9-17-3/h5,7,11,14H,4,6,8-10H2,1-3H3
InChIKeyBCNSECWUIQIHNG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.56
Rot. Bonds5

About 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine

3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 114277847) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine
PubChem CID114277847
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2ccnn2CCOC)C1
InChIInChI=1S/C13H23N3O/c1-13(6-4-11(10-13)14-2)12-5-7-15-16(12)8-9-17-3/h5,7,11,14H,4,6,8-10H2,1-3H3
InChIKeyBCNSECWUIQIHNG-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine
CID 116539246
N,3-dimethyl-3-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603161
2-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylazepane
CID 114278021
N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
CID 114277862
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylcyclopentan-1-ol
CID 114665161
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114655310
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221
N-ethyl-3-(4-methoxy-1-propylpyrazol-5-yl)-3-methylcyclopentan-1-amine
CID 114664844
3-(5-bromo-3-methyltriazol-4-yl)-N,3-dimethylcyclopentan-1-amine
CID 106463546

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine (CID 114277847) is 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(c2ccnn2CCOC)C1.
What is the InChIKey of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is BCNSECWUIQIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(6-4-11(10-13)14-2)12-5-7-15-16(12)8-9-17-3/h5,7,11,14H,4,6,8-10H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine?
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114277847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).