N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

C18H15ClN4O2 — CID 1100731

IUPACN-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-23-17(18(25)22-14-7-4-6-13(19)9-14)15(11-21-23)20-10-12-5-2-3-8-16(12)24/h2-11,24H,1H3,(H,22,25)/b20-10+
InChIKeyMUASWDZOHCWOKE-KEBDBYFISA-N
MW354.80 g/mol
LogP3.78
Rot. Bonds4

About N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 1100731) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID1100731
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O2/c1-23-17(18(25)22-14-7-4-6-13(19)9-14)15(11-21-23)20-10-12-5-2-3-8-16(12)24/h2-11,24H,1H3,(H,22,25)/b20-10+
InChIKeyMUASWDZOHCWOKE-KEBDBYFISA-N
XLogP3.78
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 135718787
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624111
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
4-[(3-chlorophenyl)carbamothioylamino]-1-methylpyrazole-5-carboxylic acid
CID 19343563
N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680893
2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136863892
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 19576393
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (CID 1100731) is N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is Cn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is MUASWDZOHCWOKE-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-23-17(18(25)22-14-7-4-6-13(19)9-14)15(11-21-23)20-10-12-5-2-3-8-16(12)24/h2-11,24H,1H3,(H,22,25)/b20-10+.
What are the key properties of N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 1100731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).