2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid

C11H12N4O2 — CID 115056344

IUPAC2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
SMILESNc1nn(-c2ccccc2)c(N)c1CC(=O)O
InChIInChI=1S/C11H12N4O2/c12-10-8(6-9(16)17)11(13)15(14-10)7-4-2-1-3-5-7/h1-5H,6,13H2,(H2,12,14)(H,16,17)
InChIKeyRSIGFZKUKSASBT-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.66
Rot. Bonds3

About 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid

2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid (PubChem CID 115056344) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
PubChem CID115056344
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
SMILESNc1nn(-c2ccccc2)c(N)c1CC(=O)O
InChIInChI=1S/C11H12N4O2/c12-10-8(6-9(16)17)11(13)15(14-10)7-4-2-1-3-5-7/h1-5H,6,13H2,(H2,12,14)(H,16,17)
InChIKeyRSIGFZKUKSASBT-UHFFFAOYSA-N
XLogP0.66
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
2-(3,5-diamino-1-methylpyrazol-4-yl)-1-phenylethanone
CID 1473558
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
2-(5-amino-1-phenylpyrazol-3-yl)acetamide
CID 118392815
1-(3-amino-2-phenylpyrazolo[4,3-b]pyridin-6-yl)-2-hydroxyethanone
CID 129038052
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
CID 115056385
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
4-ethyl-3-(4-methylphenyl)-1-phenylpyrazol-5-amine
CID 43670879
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid (CID 115056344) is 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid is Nc1nn(-c2ccccc2)c(N)c1CC(=O)O.
What is the InChIKey of 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid?
The InChIKey is RSIGFZKUKSASBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-10-8(6-9(16)17)11(13)15(14-10)7-4-2-1-3-5-7/h1-5H,6,13H2,(H2,12,14)(H,16,17).
What are the key properties of 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid?
2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115056344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).