4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide

C11H10ClN3O2 — CID 19475778

IUPAC4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccccc1O
InChIInChI=1S/C11H10ClN3O2/c1-15-10(7(12)6-13-15)11(17)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,14,17)
InChIKeyKJCRUYPACOWMCK-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.03
Rot. Bonds2

About 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 19475778) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID19475778
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccccc1O
InChIInChI=1S/C11H10ClN3O2/c1-15-10(7(12)6-13-15)11(17)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,14,17)
InChIKeyKJCRUYPACOWMCK-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.03
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-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 6468411
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 131932799
1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
CID 841598
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide (CID 19475778) is 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccccc1O.
What is the InChIKey of 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is KJCRUYPACOWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-10(7(12)6-13-15)11(17)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,14,17).
What are the key properties of 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).