1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

C20H17FN4O3 — CID 119043465

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)n1
InChIInChI=1S/C20H17FN4O3/c1-11-9-13(21)3-5-17(11)25-8-7-15(24-25)20(27)22-14-4-6-18-16(10-14)23-19(26)12(2)28-18/h3-10,12H,1-2H3,(H,22,27)(H,23,26)
InChIKeySFNJNABPJXIRPV-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (PubChem CID 119043465) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
PubChem CID119043465
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)n1
InChIInChI=1S/C20H17FN4O3/c1-11-9-13(21)3-5-17(11)25-8-7-15(24-25)20(27)22-14-4-6-18-16(10-14)23-19(26)12(2)28-18/h3-10,12H,1-2H3,(H,22,27)(H,23,26)
InChIKeySFNJNABPJXIRPV-UHFFFAOYSA-N
XLogP3.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119042225
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 102557711
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 102559387
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 17467644
4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
CID 46674146
1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
CID 45351371
1-(2-fluorophenyl)-6-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxopyridazine-3-carboxamide
CID 9147954
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (CID 119043465) is 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The InChIKey is SFNJNABPJXIRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-11-9-13(21)3-5-17(11)25-8-7-15(24-25)20(27)22-14-4-6-18-16(10-14)23-19(26)12(2)28-18/h3-10,12H,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 119043465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).