methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate

C11H10ClN3O3 — CID 82365471

IUPACmethyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(Cl)ccc2O)c1N
InChIInChI=1S/C11H10ClN3O3/c1-18-11(17)7-5-14-15(10(7)13)8-4-6(12)2-3-9(8)16/h2-5,16H,13H2,1H3
InChIKeyFCDTZKIWMWJZJF-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.60
Rot. Bonds2

About methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate

methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate (PubChem CID 82365471) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
PubChem CID82365471
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Namemethyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(Cl)ccc2O)c1N
InChIInChI=1S/C11H10ClN3O3/c1-18-11(17)7-5-14-15(10(7)13)8-4-6(12)2-3-9(8)16/h2-5,16H,13H2,1H3
InChIKeyFCDTZKIWMWJZJF-UHFFFAOYSA-N
XLogP1.60
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
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methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
methyl 5-carbamoyl-1-(3,5-dichlorophenyl)pyrazole-4-carboxylate
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ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
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5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
CID 140861984
methyl 5-chloro-2-trimethylsilylbenzoate
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tributyl 4-(5-amino-4-methoxycarbonylpyrazol-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline-1,2,3-tricarboxylate
CID 102023325
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate (CID 82365471) is methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2cc(Cl)ccc2O)c1N.
What is the InChIKey of methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate?
The InChIKey is FCDTZKIWMWJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-18-11(17)7-5-14-15(10(7)13)8-4-6(12)2-3-9(8)16/h2-5,16H,13H2,1H3.
What are the key properties of methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate?
methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 82365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).