2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine

C12H15N3O — CID 82285171

IUPAC2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cc(CCN)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-16-12-4-2-11(3-5-12)15-9-10(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyBAUYAEATLIVPOO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.38
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine

2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine (PubChem CID 82285171) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
PubChem CID82285171
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cc(CCN)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-16-12-4-2-11(3-5-12)15-9-10(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyBAUYAEATLIVPOO-UHFFFAOYSA-N
XLogP1.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexyl-1-(4-methoxyphenyl)pyrazole
CID 122206793
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
CID 82307239
2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 116818582
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
4-methoxy-1-(4-methylphenyl)pyrazole
CID 117229729
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111242895
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111410599
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine (CID 82285171) is 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine is COc1ccc(-n2cc(CCN)cn2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is BAUYAEATLIVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12-4-2-11(3-5-12)15-9-10(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine?
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82285171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).