2-amino-2-(1-benzylpyrazol-4-yl)acetic acid

C12H13N3O2 — CID 83439226

IUPAC2-amino-2-(1-benzylpyrazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H13N3O2/c13-11(12(16)17)10-6-14-15(8-10)7-9-4-2-1-3-5-9/h1-6,8,11H,7,13H2,(H,16,17)
InChIKeyNIJOKDMQHOUQPD-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid

2-amino-2-(1-benzylpyrazol-4-yl)acetic acid (PubChem CID 83439226) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-benzylpyrazol-4-yl)acetic acid
PubChem CID83439226
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-amino-2-(1-benzylpyrazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H13N3O2/c13-11(12(16)17)10-6-14-15(8-10)7-9-4-2-1-3-5-9/h1-6,8,11H,7,13H2,(H,16,17)
InChIKeyNIJOKDMQHOUQPD-UHFFFAOYSA-N
XLogP1.02
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1H-pyrazole-3-carboxylic acid
CID 22143978
2-Amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
CID 118723771
2-phenyl-2-(1H-pyrazol-1-yl)acetic acid
CID 13047015
2-(1-phenyl-1H-pyrazol-4-yl)acetic acid
CID 16227746
2-(4-phenyl-1H-pyrazol-1-yl)acetic acid
CID 62770435
2-(1-benzyl-1H-pyrazol-4-yl)acetic acid
CID 69011924
2-{1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetic acid
CID 105518522
ethyl 2-(1-benzyl-1H-pyrazol-4-yl)acetate
CID 168152314
2-amino-2-[4-(1H-pyrazol-1-yl)phenyl]acetic acid
CID 77128768
alpha,4-Dimethyl-3-phenylpyrazole-1-acetic acid
CID 20370468
2-[1-(4-Fluorophenyl)pyrazol-4-yl]acetic acid
CID 21770123
4-[4-(4-Fluorophenyl)pyrazol-1-yl]butanoic acid
CID 66679350

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid (CID 83439226) is 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid is NC(C(=O)O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid?
The InChIKey is NIJOKDMQHOUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-11(12(16)17)10-6-14-15(8-10)7-9-4-2-1-3-5-9/h1-6,8,11H,7,13H2,(H,16,17).
What are the key properties of 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid?
2-amino-2-(1-benzylpyrazol-4-yl)acetic acid has a molecular weight of 231.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 83439226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).