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

C16H23N3 — CID 62487799

IUPACN-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)15-9-10-19(18-15)16-8-6-5-7-14(16)11-17-13(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyBBZSUVJJTKVJJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.49
Rot. Bonds5

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

N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 62487799) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID62487799
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)15-9-10-19(18-15)16-8-6-5-7-14(16)11-17-13(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyBBZSUVJJTKVJJZ-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 62487799) is N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1-n1ccc(C(C)C)n1.
What is the InChIKey of N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is BBZSUVJJTKVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)15-9-10-19(18-15)16-8-6-5-7-14(16)11-17-13(3)4/h5-10,12-13,17H,11H2,1-4H3.
What are the key properties of N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62487799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).