N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine

C17H25N3 — CID 62769940

IUPACN-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-4-17(5-2)18-11-14(3)20-13-16(12-19-20)15-9-7-6-8-10-15/h6-10,12-14,17-18H,4-5,11H2,1-3H3
InChIKeyXLQODKZPXOEQEH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine

N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine (PubChem CID 62769940) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
PubChem CID62769940
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-4-17(5-2)18-11-14(3)20-13-16(12-19-20)15-9-7-6-8-10-15/h6-10,12-14,17-18H,4-5,11H2,1-3H3
InChIKeyXLQODKZPXOEQEH-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine (CID 62769940) is N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine?
The InChIKey is XLQODKZPXOEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-17(5-2)18-11-14(3)20-13-16(12-19-20)15-9-7-6-8-10-15/h6-10,12-14,17-18H,4-5,11H2,1-3H3.
What are the key properties of N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine?
N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 62769940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).