1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

C19H15ClN4O3 — CID 166201309

IUPAC1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O3/c1-11-7-16(23-24(11)14-4-2-3-12(20)8-14)19(26)21-13-5-6-17-15(9-13)22-18(25)10-27-17/h2-9H,10H2,1H3,(H,21,26)(H,22,25)
InChIKeyBTSXILJVJMFAAF-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.42
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (PubChem CID 166201309) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
PubChem CID166201309
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O3/c1-11-7-16(23-24(11)14-4-2-3-12(20)8-14)19(26)21-13-5-6-17-15(9-13)22-18(25)10-27-17/h2-9H,10H2,1H3,(H,21,26)(H,22,25)
InChIKeyBTSXILJVJMFAAF-UHFFFAOYSA-N
XLogP3.42
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 35529721
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 110372991
5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 33125130
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
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N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
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trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110778268
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (CID 166201309) is 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The InChIKey is BTSXILJVJMFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11-7-16(23-24(11)14-4-2-3-12(20)8-14)19(26)21-13-5-6-17-15(9-13)22-18(25)10-27-17/h2-9H,10H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166201309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).