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

C15H19N3O2 — CID 155518798

IUPACpropan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-12(2)20-15(19)16-9-11-18-10-8-14(17-18)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H,16,19)
InChIKeyBEDWKPHSOFWVAV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.68
Rot. Bonds5

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

propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate (PubChem CID 155518798) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
PubChem CID155518798
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namepropan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-12(2)20-15(19)16-9-11-18-10-8-14(17-18)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H,16,19)
InChIKeyBEDWKPHSOFWVAV-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.68
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-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate (CID 155518798) is propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate is CC(C)OC(=O)NCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
The InChIKey is BEDWKPHSOFWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(2)20-15(19)16-9-11-18-10-8-14(17-18)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H,16,19).
What are the key properties of propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate?
propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 155518798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).