1-(2-ethylbutyl)pyrazol-4-amine

C9H17N3 — CID 56604384

IUPAC1-(2-ethylbutyl)pyrazol-4-amine
SMILESCCC(CC)Cn1cc(N)cn1
InChIInChI=1S/C9H17N3/c1-3-8(4-2)6-12-7-9(10)5-11-12/h5,7-8H,3-4,6,10H2,1-2H3
InChIKeyYWTMJRDIVAPVKR-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-ethylbutyl)pyrazol-4-amine

1-(2-ethylbutyl)pyrazol-4-amine (PubChem CID 56604384) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(2-ethylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-ethylbutyl)pyrazol-4-amine
PubChem CID56604384
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(2-ethylbutyl)pyrazol-4-amine
SMILESCCC(CC)Cn1cc(N)cn1
InChIInChI=1S/C9H17N3/c1-3-8(4-2)6-12-7-9(10)5-11-12/h5,7-8H,3-4,6,10H2,1-2H3
InChIKeyYWTMJRDIVAPVKR-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
CID 163467197
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine
CID 165479766
1-(2-phenylpropyl)pyrazol-4-amine
CID 50999732
1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
1-(2-cyclohexylpropyl)pyrazol-4-amine
CID 165465103
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
1-(2-chloro-2-phenylethyl)pyrazol-4-amine
CID 142785570
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)pyrazol-4-amine?
The IUPAC name of 1-(2-ethylbutyl)pyrazol-4-amine (CID 56604384) is 1-(2-ethylbutyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-ethylbutyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-ethylbutyl)pyrazol-4-amine is CCC(CC)Cn1cc(N)cn1.
What is the InChIKey of 1-(2-ethylbutyl)pyrazol-4-amine?
The InChIKey is YWTMJRDIVAPVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(4-2)6-12-7-9(10)5-11-12/h5,7-8H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)pyrazol-4-amine?
1-(2-ethylbutyl)pyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)pyrazol-4-amine is sourced from PubChem (CID 56604384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).