1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine

C16H23N3O — CID 116804290

IUPAC1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-14(17)9-13-7-5-6-8-16(13)20-15-10-18-19(11-15)12(2)3/h5-8,10-12,14H,4,9,17H2,1-3H3
InChIKeyKQMKHYUZYCSLGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine

1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine (PubChem CID 116804290) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
PubChem CID116804290
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-14(17)9-13-7-5-6-8-16(13)20-15-10-18-19(11-15)12(2)3/h5-8,10-12,14H,4,9,17H2,1-3H3
InChIKeyKQMKHYUZYCSLGN-UHFFFAOYSA-N
XLogP3.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
CID 117125191
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893574
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine?
The IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine (CID 116804290) is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine is CCC(N)Cc1ccccc1Oc1cnn(C(C)C)c1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine?
The InChIKey is KQMKHYUZYCSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-14(17)9-13-7-5-6-8-16(13)20-15-10-18-19(11-15)12(2)3/h5-8,10-12,14H,4,9,17H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine?
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine is sourced from PubChem (CID 116804290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).