(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate

C15H19N3O2 — CID 91312207

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
SMILESCn1nc(C(C)(C)C)cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-10-13(18(4)17-12)20-14(19)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,19)
InChIKeyPPUJLEUMULEKFU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.33
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate

(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate (PubChem CID 91312207) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
PubChem CID91312207
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
SMILESCn1nc(C(C)(C)C)cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-10-13(18(4)17-12)20-14(19)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,19)
InChIKeyPPUJLEUMULEKFU-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate (CID 91312207) is (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate is Cn1nc(C(C)(C)C)cc1OC(=O)Nc1ccccc1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate?
The InChIKey is PPUJLEUMULEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)12-10-13(18(4)17-12)20-14(19)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,19).
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate?
(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate has a molecular weight of 273.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate is sourced from PubChem (CID 91312207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).