2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid

C13H15N3O2 — CID 79584167

IUPAC2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(Nc2ccccc2)C(=O)O)cnn1C
InChIInChI=1S/C13H15N3O2/c1-9-11(8-14-16(9)2)12(13(17)18)15-10-6-4-3-5-7-10/h3-8,12,15H,1-2H3,(H,17,18)
InChIKeySWXSIQNXSSZNPF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds4

About 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid

2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 79584167) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID79584167
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(Nc2ccccc2)C(=O)O)cnn1C
InChIInChI=1S/C13H15N3O2/c1-9-11(8-14-16(9)2)12(13(17)18)15-10-6-4-3-5-7-10/h3-8,12,15H,1-2H3,(H,17,18)
InChIKeySWXSIQNXSSZNPF-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79583885
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511
ethyl 2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79570015
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 154741095
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 171489198
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(1-benzothiophen-4-ylsulfonylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 167835948

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid (CID 79584167) is 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid is Cc1c(C(Nc2ccccc2)C(=O)O)cnn1C.
What is the InChIKey of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is SWXSIQNXSSZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(8-14-16(9)2)12(13(17)18)15-10-6-4-3-5-7-10/h3-8,12,15H,1-2H3,(H,17,18).
What are the key properties of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 79584167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).