N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline

C19H21N3 — CID 2322415

IUPACN-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H21N3/c1-19(2,16-11-7-8-12-17(16)20-3)18-13-14-21-22(18)15-9-5-4-6-10-15/h4-14,20H,1-3H3
InChIKeyBAGLYEYBQOEYCU-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.24
Rot. Bonds4

About N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline

N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline (PubChem CID 2322415) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline
PubChem CID2322415
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H21N3/c1-19(2,16-11-7-8-12-17(16)20-3)18-13-14-21-22(18)15-9-5-4-6-10-15/h4-14,20H,1-3H3
InChIKeyBAGLYEYBQOEYCU-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline?
The IUPAC name of N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline (CID 2322415) is N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline?
The canonical SMILES for N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline is CNc1ccccc1C(C)(C)c1ccnn1-c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline?
The InChIKey is BAGLYEYBQOEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-19(2,16-11-7-8-12-17(16)20-3)18-13-14-21-22(18)15-9-5-4-6-10-15/h4-14,20H,1-3H3.
What are the key properties of N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline?
N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline has a molecular weight of 291.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-phenylpyrazol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 2322415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).