3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C17H12ClN3O5 — CID 142960204

IUPAC3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(N=O)cc3O)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H12ClN3O5/c1-26-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)12(21-25)7-13(10)22/h2-7,22H,1H3,(H,19,20)(H,23,24)
InChIKeyZTOBZTNSSSLMKH-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.21
Rot. Bonds5

About 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 142960204) has the molecular formula C17H12ClN3O5 and a molecular weight of 373.75 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID142960204
Molecular FormulaC17H12ClN3O5
Molecular Weight373.75 g/mol
Exact Mass373.05
IUPAC Name3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(N=O)cc3O)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H12ClN3O5/c1-26-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)12(21-25)7-13(10)22/h2-7,22H,1H3,(H,19,20)(H,23,24)
InChIKeyZTOBZTNSSSLMKH-UHFFFAOYSA-N
XLogP4.21
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 142960204) is 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(-c2c(-c3cc(Cl)c(N=O)cc3O)n[nH]c2C(=O)O)cc1.
What is the InChIKey of 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZTOBZTNSSSLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O5/c1-26-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)12(21-25)7-13(10)22/h2-7,22H,1H3,(H,19,20)(H,23,24).
What are the key properties of 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 373.75 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 142960204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).