N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine

C14H25N3O — CID 114277862

IUPACN-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
SMILESCOCCn1nccc1C(C)C(C)CNC1CC1
InChIInChI=1S/C14H25N3O/c1-11(10-15-13-4-5-13)12(2)14-6-7-16-17(14)8-9-18-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3
InChIKeyYBYAZYONPORIOK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.02
Rot. Bonds8

About N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine

N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine (PubChem CID 114277862) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
PubChem CID114277862
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
SMILESCOCCn1nccc1C(C)C(C)CNC1CC1
InChIInChI=1S/C14H25N3O/c1-11(10-15-13-4-5-13)12(2)14-6-7-16-17(14)8-9-18-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3
InChIKeyYBYAZYONPORIOK-UHFFFAOYSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964
3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
CID 81016747
1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
CID 81020228
[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275
N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N,3-dimethylcyclopentan-1-amine
CID 114277847
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine (CID 114277862) is N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine is COCCn1nccc1C(C)C(C)CNC1CC1.
What is the InChIKey of N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine?
The InChIKey is YBYAZYONPORIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(10-15-13-4-5-13)12(2)14-6-7-16-17(14)8-9-18-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3.
What are the key properties of N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine?
N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 114277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).