2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid

C14H17N3O2 — CID 114555699

IUPAC2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
SMILESCCn1nccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-17-12(8-9-16-17)10-15-13(14(18)19)11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3,(H,18,19)
InChIKeyDWQAEBDDZCXGLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.82
Rot. Bonds6

About 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid

2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid (PubChem CID 114555699) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
PubChem CID114555699
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
SMILESCCn1nccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-17-12(8-9-16-17)10-15-13(14(18)19)11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3,(H,18,19)
InChIKeyDWQAEBDDZCXGLI-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid (CID 114555699) is 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid is CCn1nccc1CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid?
The InChIKey is DWQAEBDDZCXGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-17-12(8-9-16-17)10-15-13(14(18)19)11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid?
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 114555699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).