tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate

C20H19FN4O3 — CID 166217382

IUPACtert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(C(=O)Nc2cncc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O3/c1-20(2,3)28-19(27)17-10-16(24-25(17)15-7-5-4-6-8-15)18(26)23-14-9-13(21)11-22-12-14/h4-12H,1-3H3,(H,23,26)
InChIKeyPZFSTWNFBAXDRA-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate

tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate (PubChem CID 166217382) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate
PubChem CID166217382
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Nametert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(C(=O)Nc2cncc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O3/c1-20(2,3)28-19(27)17-10-16(24-25(17)15-7-5-4-6-8-15)18(26)23-14-9-13(21)11-22-12-14/h4-12H,1-3H3,(H,23,26)
InChIKeyPZFSTWNFBAXDRA-UHFFFAOYSA-N
XLogP3.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(2-methylpyrimidin-5-yl)carbamoyl]-1-phenylpyrazole-5-carboxylate
CID 166190455
tert-butyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]-1-phenylpyrazole-5-carboxylate
CID 166216673
methyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 57327718
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
methyl 1-phenyl-5-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]pyrazole-3-carboxylate
CID 86971030
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate?
The IUPAC name of tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate (CID 166217382) is tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate is CC(C)(C)OC(=O)c1cc(C(=O)Nc2cncc(F)c2)nn1-c1ccccc1.
What is the InChIKey of tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate?
The InChIKey is PZFSTWNFBAXDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-20(2,3)28-19(27)17-10-16(24-25(17)15-7-5-4-6-8-15)18(26)23-14-9-13(21)11-22-12-14/h4-12H,1-3H3,(H,23,26).
What are the key properties of tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate?
tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-fluoro-3-pyridinyl)carbamoyl]-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 166217382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).