N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

C16H19FN4O3 — CID 121092184

IUPACN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C16H19FN4O3/c1-10-5-6-11(7-13(10)17)18-14(22)9-20(2)16(23)12-8-21(3)19-15(12)24-4/h5-8H,9H2,1-4H3,(H,18,22)
InChIKeyBVRLMRVQLXUYGH-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 121092184) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
PubChem CID121092184
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C16H19FN4O3/c1-10-5-6-11(7-13(10)17)18-14(22)9-20(2)16(23)12-8-21(3)19-15(12)24-4/h5-8H,9H2,1-4H3,(H,18,22)
InChIKeyBVRLMRVQLXUYGH-UHFFFAOYSA-N
XLogP1.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092174
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092232
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092143
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092150
N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092285
ethyl 4-[[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]amino]benzoate
CID 121092151
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092284
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092168
3-methoxy-N,1-dimethyl-N-[2-(3-nitroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092131
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (CID 121092184) is N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BVRLMRVQLXUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-10-5-6-11(7-13(10)17)18-14(22)9-20(2)16(23)12-8-21(3)19-15(12)24-4/h5-8H,9H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121092184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).