N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide

C12H12ClN3O2 — CID 19262175

IUPACN-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-6-5-9(15-16)12(18)14-10-7-8(13)3-4-11(10)17/h3-7,17H,2H2,1H3,(H,14,18)
InChIKeyHCSXHOUCOLIIGM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.51
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 19262175) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID19262175
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-6-5-9(15-16)12(18)14-10-7-8(13)3-4-11(10)17/h3-7,17H,2H2,1H3,(H,14,18)
InChIKeyHCSXHOUCOLIIGM-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841339
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19277942
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19280428
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide (CID 19262175) is N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is HCSXHOUCOLIIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-16-6-5-9(15-16)12(18)14-10-7-8(13)3-4-11(10)17/h3-7,17H,2H2,1H3,(H,14,18).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19262175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).