2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid

C13H15N3O2 — CID 103256802

IUPAC2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
SMILESCn1ccc(NCc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-16-7-6-12(15-16)14-9-11-4-2-10(3-5-11)8-13(17)18/h2-7H,8-9H2,1H3,(H,14,15)(H,17,18)
InChIKeyBPCZMFFJRCBPBT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds5

About 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid

2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid (PubChem CID 103256802) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
PubChem CID103256802
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
SMILESCn1ccc(NCc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-16-7-6-12(15-16)14-9-11-4-2-10(3-5-11)8-13(17)18/h2-7H,8-9H2,1H3,(H,14,15)(H,17,18)
InChIKeyBPCZMFFJRCBPBT-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic 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-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 114250987
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904796
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
1-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115697833
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103256805
(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 69130071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid (CID 103256802) is 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid is Cn1ccc(NCc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The InChIKey is BPCZMFFJRCBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-7-6-12(15-16)14-9-11-4-2-10(3-5-11)8-13(17)18/h2-7H,8-9H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103256802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).