methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate

C12H10FN3O3 — CID 712135

IUPACmethyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate
SMILESCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H10FN3O3/c1-19-12(18)16-7-6-10(15-16)11(17)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,17)
InChIKeyDOQLUYLJFRSKAZ-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.89
Rot. Bonds2

About methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate

methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate (PubChem CID 712135) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate
PubChem CID712135
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Namemethyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate
SMILESCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H10FN3O3/c1-19-12(18)16-7-6-10(15-16)11(17)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,17)
InChIKeyDOQLUYLJFRSKAZ-UHFFFAOYSA-N
XLogP1.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate?
The IUPAC name of methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate (CID 712135) is methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate.
What is the SMILES notation for methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate?
The canonical SMILES for methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate is COC(=O)n1ccc(C(=O)Nc2ccccc2F)n1.
What is the InChIKey of methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate?
The InChIKey is DOQLUYLJFRSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-12(18)16-7-6-10(15-16)11(17)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,17).
What are the key properties of methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate?
methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate has a molecular weight of 263.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorophenyl)carbamoyl]pyrazole-1-carboxylate is sourced from PubChem (CID 712135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).