N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine

C12H23N3O — CID 115756836

IUPACN-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCCC(CC)CNc1ccn(CCOC)n1
InChIInChI=1S/C12H23N3O/c1-4-11(5-2)10-13-12-6-7-15(14-12)8-9-16-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14)
InChIKeyNGBZNYPZYBGZEG-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.38
Rot. Bonds8

About N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine

N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine (PubChem CID 115756836) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine
PubChem CID115756836
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCCC(CC)CNc1ccn(CCOC)n1
InChIInChI=1S/C12H23N3O/c1-4-11(5-2)10-13-12-6-7-15(14-12)8-9-16-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14)
InChIKeyNGBZNYPZYBGZEG-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568549
1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine
CID 115690888
N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine
CID 115920722
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-5-methyloxolan-2-one
CID 119032693
(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
CID 97061877
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The IUPAC name of N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine (CID 115756836) is N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine.
What is the SMILES notation for N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The canonical SMILES for N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine is CCC(CC)CNc1ccn(CCOC)n1.
What is the InChIKey of N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The InChIKey is NGBZNYPZYBGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-11(5-2)10-13-12-6-7-15(14-12)8-9-16-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine?
N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine has a molecular weight of 225.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 115756836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).