2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine

C18H27N3 — CID 81027473

IUPAC2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1CC(CNC(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-12-21-18(10-11-20-21)13-17(14-19-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3
InChIKeyBJGYPMZRDADLBJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.62
Rot. Bonds8

About 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine

2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 81027473) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID81027473
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1CC(CNC(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-12-21-18(10-11-20-21)13-17(14-19-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3
InChIKeyBJGYPMZRDADLBJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine (CID 81027473) is 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1CC(CNC(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is BJGYPMZRDADLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-12-21-18(10-11-20-21)13-17(14-19-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3.
What are the key properties of 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine?
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 81027473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).