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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Related Compounds

methyl 2-[[3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 142960194
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 135445187
3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 142259912
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
3,4-bis(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 174872476
4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane
CID 158450650
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol
CID 137167775
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 100951026
3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 135749920
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027

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).