methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate

C13H12FN3O3 — CID 5303442

IUPACmethyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2)nn1C
InChIInChI=1S/C13H12FN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18)
InChIKeyWLPJAXJBRPFBJM-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.60
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate

methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate (PubChem CID 5303442) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
PubChem CID5303442
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Namemethyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2)nn1C
InChIInChI=1S/C13H12FN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18)
InChIKeyWLPJAXJBRPFBJM-UHFFFAOYSA-N
XLogP1.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 154693169
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
ethyl 3-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267124
ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267096

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate (CID 5303442) is methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(C(=O)Nc2ccc(F)cc2)nn1C.
What is the InChIKey of methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is WLPJAXJBRPFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18).
What are the key properties of methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate?
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 277.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 5303442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).