2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine

C9H17N3O — CID 84718799

IUPAC2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine
SMILESCCCc1cc(OC)n(CCN)n1
InChIInChI=1S/C9H17N3O/c1-3-4-8-7-9(13-2)12(11-8)6-5-10/h7H,3-6,10H2,1-2H3
InChIKeyRJPWTXAUYPPZCX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds5

About 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine

2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine (PubChem CID 84718799) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine
PubChem CID84718799
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine
SMILESCCCc1cc(OC)n(CCN)n1
InChIInChI=1S/C9H17N3O/c1-3-4-8-7-9(13-2)12(11-8)6-5-10/h7H,3-6,10H2,1-2H3
InChIKeyRJPWTXAUYPPZCX-UHFFFAOYSA-N
XLogP0.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxy-3-propylpyrazol-1-yl)piperidine
CID 84725332
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
5-methoxy-3-propyl-1-pyrrolidin-3-ylpyrazole
CID 84722964
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine
CID 175276014
2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one
CID 84705568
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
1-ethyl-3-iodo-5-methoxypyrazole
CID 162723705
2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine
CID 54356902
3-butyl-1-(3-methoxypropyl)pyrazol-5-amine
CID 174636932
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
CID 66022661

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine (CID 84718799) is 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine is CCCc1cc(OC)n(CCN)n1.
What is the InChIKey of 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine?
The InChIKey is RJPWTXAUYPPZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-8-7-9(13-2)12(11-8)6-5-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine?
2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 84718799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).