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

C18H19N3 — CID 62771007

IUPAC2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
SMILESCc1ccccc1NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H19N3/c1-15-7-5-6-10-18(15)19-11-12-21-14-17(13-20-21)16-8-3-2-4-9-16/h2-10,13-14,19H,11-12H2,1H3
InChIKeyDXXJVAHVUCSBIU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.97
Rot. Bonds5

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

2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline (PubChem CID 62771007) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
PubChem CID62771007
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
SMILESCc1ccccc1NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H19N3/c1-15-7-5-6-10-18(15)19-11-12-21-14-17(13-20-21)16-8-3-2-4-9-16/h2-10,13-14,19H,11-12H2,1H3
InChIKeyDXXJVAHVUCSBIU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline (CID 62771007) is 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline is Cc1ccccc1NCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The InChIKey is DXXJVAHVUCSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15-7-5-6-10-18(15)19-11-12-21-14-17(13-20-21)16-8-3-2-4-9-16/h2-10,13-14,19H,11-12H2,1H3.
What are the key properties of 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62771007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).