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

C12H12ClN3O2 — CID 63935503

IUPACN-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)c(Cl)c2)cnn1C
InChIInChI=1S/C12H12ClN3O2/c1-7-9(6-14-16(7)2)12(18)15-8-3-4-11(17)10(13)5-8/h3-6,17H,1-2H3,(H,15,18)
InChIKeyNFRKRFZMMXQINV-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.34
Rot. Bonds2

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

N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 63935503) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID63935503
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)c(Cl)c2)cnn1C
InChIInChI=1S/C12H12ClN3O2/c1-7-9(6-14-16(7)2)12(18)15-8-3-4-11(17)10(13)5-8/h3-6,17H,1-2H3,(H,15,18)
InChIKeyNFRKRFZMMXQINV-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-dibenzofuran-2-yl-1,5-dimethylpyrazole-4-carboxamide
CID 17462774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 63935503) is N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(O)c(Cl)c2)cnn1C.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is NFRKRFZMMXQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-9(6-14-16(7)2)12(18)15-8-3-4-11(17)10(13)5-8/h3-6,17H,1-2H3,(H,15,18).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-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 N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63935503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).