propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate

C19H18FN3O2 — CID 71959020

IUPACpropan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-13(2)25-19(24)21-18-12-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H,21,24)
InChIKeyMHHCYSFYLYXSJT-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.64
Rot. Bonds4

About propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate

propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate (PubChem CID 71959020) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
PubChem CID71959020
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namepropan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c1-13(2)25-19(24)21-18-12-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H,21,24)
InChIKeyMHHCYSFYLYXSJT-UHFFFAOYSA-N
XLogP4.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate (CID 71959020) is propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate is CC(C)OC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1.
What is the InChIKey of propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
The InChIKey is MHHCYSFYLYXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(2)25-19(24)21-18-12-17(14-7-4-3-5-8-14)22-23(18)16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H,21,24).
What are the key properties of propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate?
propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate has a molecular weight of 339.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 71959020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).