2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid

C15H19N3O2 — CID 82539391

IUPAC2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
SMILESCn1cc(CNc2ccccc2C(C)(C)C(=O)O)cn1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-6-4-5-7-13(12)16-8-11-9-17-18(3)10-11/h4-7,9-10,16H,8H2,1-3H3,(H,19,20)
InChIKeyIXKMBCBGAOXLLG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid

2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid (PubChem CID 82539391) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
PubChem CID82539391
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
SMILESCn1cc(CNc2ccccc2C(C)(C)C(=O)O)cn1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-6-4-5-7-13(12)16-8-11-9-17-18(3)10-11/h4-7,9-10,16H,8H2,1-3H3,(H,19,20)
InChIKeyIXKMBCBGAOXLLG-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(1-methylpyrazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)aniline;2,2,2-trifluoroacetic acid
CID 154885495
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
CID 110452209
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
3-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-yloxybenzoic acid
CID 166237731
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid (CID 82539391) is 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid is Cn1cc(CNc2ccccc2C(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid?
The InChIKey is IXKMBCBGAOXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-6-4-5-7-13(12)16-8-11-9-17-18(3)10-11/h4-7,9-10,16H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid?
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid is sourced from PubChem (CID 82539391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).