ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate

C19H24FN3O4 — CID 118962894

IUPACethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N(C)C(=O)OC(C)(C)C)n(Cc2ccccc2F)n1
InChIInChI=1S/C19H24FN3O4/c1-6-26-17(24)15-11-16(22(5)18(25)27-19(2,3)4)23(21-15)12-13-9-7-8-10-14(13)20/h7-11H,6,12H2,1-5H3
InChIKeyVEXKOVZDLFRZOZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.62
Rot. Bonds5

About ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate

ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate (PubChem CID 118962894) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate
PubChem CID118962894
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N(C)C(=O)OC(C)(C)C)n(Cc2ccccc2F)n1
InChIInChI=1S/C19H24FN3O4/c1-6-26-17(24)15-11-16(22(5)18(25)27-19(2,3)4)23(21-15)12-13-9-7-8-10-14(13)20/h7-11H,6,12H2,1-5H3
InChIKeyVEXKOVZDLFRZOZ-UHFFFAOYSA-N
XLogP3.62
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate
CID 11391384
2-[5-[(4-Fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
Ethyl 1-[(3-fluorophenyl)carbamoyl]-2-phenyl-2,3-dihydroimidazo[2,1-e]pyrazole-6-carboxylate
CID 137634289
Ethyl 1-[(4-fluorophenyl)carbamoyl]-2-phenyl-2,3-dihydroimidazo[2,1-e]pyrazole-6-carboxylate
CID 137636040
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-3-carboxylate
CID 137639960
Ethyl 2-phenyl-1-[[3-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydroimidazo[2,1-e]pyrazole-6-carboxylate
CID 137641713
Ethyl 1-[(2-fluorophenyl)carbamoyl]-2-phenyl-2,3-dihydroimidazo[2,1-e]pyrazole-6-carboxylate
CID 137642005
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-3-carboxylate
CID 137659956
Ethyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylate
CID 154637010
Ethyl 5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2883968
methyl 1-[C-(4-fluorophenyl)-N-(2-methylpropyl)carbonimidoyl]-5-methylpyrazole-3-carboxylate
CID 12883477
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-3-carboxylate
CID 137642527

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate (CID 118962894) is ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate is CCOC(=O)c1cc(N(C)C(=O)OC(C)(C)C)n(Cc2ccccc2F)n1.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate?
The InChIKey is VEXKOVZDLFRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-6-26-17(24)15-11-16(22(5)18(25)27-19(2,3)4)23(21-15)12-13-9-7-8-10-14(13)20/h7-11H,6,12H2,1-5H3.
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate?
ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylate is sourced from PubChem (CID 118962894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).