1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine

C16H23N3 — CID 63943120

IUPAC1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-n2ccc(C(C)C)n2)c1
InChIInChI=1S/C16H23N3/c1-4-14(17)10-13-6-5-7-15(11-13)19-9-8-16(18-19)12(2)3/h5-9,11-12,14H,4,10,17H2,1-3H3
InChIKeyKAAZEPYOYSDWSC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine

1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine (PubChem CID 63943120) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
PubChem CID63943120
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-n2ccc(C(C)C)n2)c1
InChIInChI=1S/C16H23N3/c1-4-14(17)10-13-6-5-7-15(11-13)19-9-8-16(18-19)12(2)3/h5-9,11-12,14H,4,10,17H2,1-3H3
InChIKeyKAAZEPYOYSDWSC-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine (CID 63943120) is 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine is CCC(N)Cc1cccc(-n2ccc(C(C)C)n2)c1.
What is the InChIKey of 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The InChIKey is KAAZEPYOYSDWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-14(17)10-13-6-5-7-15(11-13)19-9-8-16(18-19)12(2)3/h5-9,11-12,14H,4,10,17H2,1-3H3.
What are the key properties of 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).