N-[2-(4-phenylpyrazol-1-yl)propyl]aniline

C18H19N3 — CID 62770649

IUPACN-[2-(4-phenylpyrazol-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H19N3/c1-15(12-19-18-10-6-3-7-11-18)21-14-17(13-20-21)16-8-4-2-5-9-16/h2-11,13-15,19H,12H2,1H3
InChIKeyXEAIWXGQYFFGHA-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(4-phenylpyrazol-1-yl)propyl]aniline

N-[2-(4-phenylpyrazol-1-yl)propyl]aniline (PubChem CID 62770649) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(4-phenylpyrazol-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4-phenylpyrazol-1-yl)propyl]aniline
PubChem CID62770649
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[2-(4-phenylpyrazol-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H19N3/c1-15(12-19-18-10-6-3-7-11-18)21-14-17(13-20-21)16-8-4-2-5-9-16/h2-11,13-15,19H,12H2,1H3
InChIKeyXEAIWXGQYFFGHA-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.22
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]aniline?
The IUPAC name of N-[2-(4-phenylpyrazol-1-yl)propyl]aniline (CID 62770649) is N-[2-(4-phenylpyrazol-1-yl)propyl]aniline.
What is the SMILES notation for N-[2-(4-phenylpyrazol-1-yl)propyl]aniline?
The canonical SMILES for N-[2-(4-phenylpyrazol-1-yl)propyl]aniline is CC(CNc1ccccc1)n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-[2-(4-phenylpyrazol-1-yl)propyl]aniline?
The InChIKey is XEAIWXGQYFFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15(12-19-18-10-6-3-7-11-18)21-14-17(13-20-21)16-8-4-2-5-9-16/h2-11,13-15,19H,12H2,1H3.
What are the key properties of N-[2-(4-phenylpyrazol-1-yl)propyl]aniline?
N-[2-(4-phenylpyrazol-1-yl)propyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.22, 5 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]aniline is sourced from PubChem (CID 62770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).