N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

C16H17FN4O3 — CID 129447704

IUPACN-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c(C)nn1C
InChIInChI=1S/C16H17FN4O3/c1-9-13(16(24-3)20(2)19-9)14(22)18-12-8-21(15(12)23)11-6-4-10(17)5-7-11/h4-7,12H,8H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyIHFBJRUZSSPISV-GFCCVEGCSA-N
MW332.34 g/mol
LogP1.02
Rot. Bonds4

About N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide

N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 129447704) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
PubChem CID129447704
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC NameN-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c(C)nn1C
InChIInChI=1S/C16H17FN4O3/c1-9-13(16(24-3)20(2)19-9)14(22)18-12-8-21(15(12)23)11-6-4-10(17)5-7-11/h4-7,12H,8H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyIHFBJRUZSSPISV-GFCCVEGCSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257
1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
CID 97352613
5-methoxy-1,3-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrazole-4-carboxamide
CID 167839394
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide
CID 97349438
N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 96526370
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 154750113
5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 95990127
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide
CID 124889607
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
CID 55601993
N-(4-ethylsulfanylbutan-2-yl)-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71993229

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide (CID 129447704) is N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is COc1c(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c(C)nn1C.
What is the InChIKey of N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is IHFBJRUZSSPISV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-13(16(24-3)20(2)19-9)14(22)18-12-8-21(15(12)23)11-6-4-10(17)5-7-11/h4-7,12H,8H2,1-3H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide?
N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 129447704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).