benzyl N-(1H-pyrazol-4-yl)carbamate

C11H11N3O2 — CID 43540488

IUPACbenzyl N-(1H-pyrazol-4-yl)carbamate
SMILESO=C(Nc1cn[nH]c1)OCc1ccccc1
InChIInChI=1S/C11H11N3O2/c15-11(14-10-6-12-13-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)
InChIKeyHOYQHOBEVBNOHC-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.16
Rot. Bonds3

About benzyl N-(1H-pyrazol-4-yl)carbamate

benzyl N-(1H-pyrazol-4-yl)carbamate (PubChem CID 43540488) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is benzyl N-(1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1H-pyrazol-4-yl)carbamate
PubChem CID43540488
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namebenzyl N-(1H-pyrazol-4-yl)carbamate
SMILESO=C(Nc1cn[nH]c1)OCc1ccccc1
InChIInChI=1S/C11H11N3O2/c15-11(14-10-6-12-13-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)
InChIKeyHOYQHOBEVBNOHC-UHFFFAOYSA-N
XLogP2.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1H-pyrazol-4-yl)carbamate?
The IUPAC name of benzyl N-(1H-pyrazol-4-yl)carbamate (CID 43540488) is benzyl N-(1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1H-pyrazol-4-yl)carbamate?
The canonical SMILES for benzyl N-(1H-pyrazol-4-yl)carbamate is O=C(Nc1cn[nH]c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1H-pyrazol-4-yl)carbamate?
The InChIKey is HOYQHOBEVBNOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(14-10-6-12-13-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15).
What are the key properties of benzyl N-(1H-pyrazol-4-yl)carbamate?
benzyl N-(1H-pyrazol-4-yl)carbamate has a molecular weight of 217.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 43540488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).