2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid

C11H10ClN3O2 — CID 115069490

IUPAC2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
SMILESNc1c(CC(=O)O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-11(13)7(6-14-15)5-10(16)17/h1-4,6H,5,13H2,(H,16,17)
InChIKeyKXLSXWGFHSRBAC-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.74
Rot. Bonds3

About 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid

2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid (PubChem CID 115069490) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
PubChem CID115069490
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
SMILESNc1c(CC(=O)O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-11(13)7(6-14-15)5-10(16)17/h1-4,6H,5,13H2,(H,16,17)
InChIKeyKXLSXWGFHSRBAC-UHFFFAOYSA-N
XLogP1.74
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-1-(4-bromophenyl)pyrazol-4-yl]acetic acid
CID 115069491
1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid
CID 69435361
2-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]acetic acid
CID 84700384
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 3639099
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one
CID 54710779
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
4-(5-amino-4-chloropyrazol-1-yl)phenol
CID 112711594

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid (CID 115069490) is 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid is Nc1c(CC(=O)O)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid?
The InChIKey is KXLSXWGFHSRBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-1-3-9(4-2-8)15-11(13)7(6-14-15)5-10(16)17/h1-4,6H,5,13H2,(H,16,17).
What are the key properties of 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid?
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid has a molecular weight of 251.67 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 115069490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).