(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid

C15H19N3O3 — CID 97277528

IUPAC(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
SMILESCOc1ccc(Cn2cc([C@@H](C(=O)O)N(C)C)cn2)cc1
InChIInChI=1S/C15H19N3O3/c1-17(2)14(15(19)20)12-8-16-18(10-12)9-11-4-6-13(21-3)7-5-11/h4-8,10,14H,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyZRGIWAXEEWJKGM-AWEZNQCLSA-N
MW289.34 g/mol
LogP1.63
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid

(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid (PubChem CID 97277528) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
PubChem CID97277528
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
SMILESCOc1ccc(Cn2cc([C@@H](C(=O)O)N(C)C)cn2)cc1
InChIInChI=1S/C15H19N3O3/c1-17(2)14(15(19)20)12-8-16-18(10-12)9-11-4-6-13(21-3)7-5-11/h4-8,10,14H,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyZRGIWAXEEWJKGM-AWEZNQCLSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]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

1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 165134035
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid (CID 97277528) is (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid is COc1ccc(Cn2cc([C@@H](C(=O)O)N(C)C)cn2)cc1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid?
The InChIKey is ZRGIWAXEEWJKGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(2)14(15(19)20)12-8-16-18(10-12)9-11-4-6-13(21-3)7-5-11/h4-8,10,14H,9H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid?
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 97277528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).