4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide

C12H12ClN3O2 — CID 19266964

IUPAC4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2cccc(O)c2)nn1C
InChIInChI=1S/C12H12ClN3O2/c1-7-10(13)11(15-16(7)2)12(18)14-8-4-3-5-9(17)6-8/h3-6,17H,1-2H3,(H,14,18)
InChIKeyXURHLRDZMWQDKG-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266964) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266964
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2cccc(O)c2)nn1C
InChIInChI=1S/C12H12ClN3O2/c1-7-10(13)11(15-16(7)2)12(18)14-8-4-3-5-9(17)6-8/h3-6,17H,1-2H3,(H,14,18)
InChIKeyXURHLRDZMWQDKG-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
1-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-4-oxopyridazine-3-carboxamide
CID 178130114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19266964) is 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2cccc(O)c2)nn1C.
What is the InChIKey of 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XURHLRDZMWQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-10(13)11(15-16(7)2)12(18)14-8-4-3-5-9(17)6-8/h3-6,17H,1-2H3,(H,14,18).
What are the key properties of 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).