2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

C12H10ClN3O3 — CID 79139290

IUPAC2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccn[nH]1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H10ClN3O3/c13-10-2-1-7(5-9(10)12(18)19)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyCEWRJRTXIRDIKX-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid (PubChem CID 79139290) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
PubChem CID79139290
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccn[nH]1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H10ClN3O3/c13-10-2-1-7(5-9(10)12(18)19)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyCEWRJRTXIRDIKX-UHFFFAOYSA-N
XLogP1.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139697
N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 75523474
5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170
3,5-dichloro-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 82830477
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139491
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84596831
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid (CID 79139290) is 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid is O=C(Cc1ccn[nH]1)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The InChIKey is CEWRJRTXIRDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-10-2-1-7(5-9(10)12(18)19)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid has a molecular weight of 279.68 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 79139290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).