3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine

C13H17N3O2 — CID 115055561

IUPAC3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
SMILESCOc1ccc(Oc2cnn(CCCN)c2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-11-3-5-12(6-4-11)18-13-9-15-16(10-13)8-2-7-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyRERNGSKATUAFMP-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.03
Rot. Bonds6

About 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine

3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine (PubChem CID 115055561) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
PubChem CID115055561
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
SMILESCOc1ccc(Oc2cnn(CCCN)c2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-11-3-5-12(6-4-11)18-13-9-15-16(10-13)8-2-7-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyRERNGSKATUAFMP-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine
CID 117234274
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine (CID 115055561) is 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine is COc1ccc(Oc2cnn(CCCN)c2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine?
The InChIKey is RERNGSKATUAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-3-5-12(6-4-11)18-13-9-15-16(10-13)8-2-7-14/h3-6,9-10H,2,7-8,14H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine?
3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 115055561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).