prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate

C8H11N3O2 — CID 89094185

IUPACprop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate
SMILESC=C(C)OC(=O)Nc1cn[nH]c1C
InChIInChI=1S/C8H11N3O2/c1-5(2)13-8(12)10-7-4-9-11-6(7)3/h4H,1H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyFOVXUCLLKGJGNF-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.80
Rot. Bonds2

About prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate

prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate (PubChem CID 89094185) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate
PubChem CID89094185
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameprop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate
SMILESC=C(C)OC(=O)Nc1cn[nH]c1C
InChIInChI=1S/C8H11N3O2/c1-5(2)13-8(12)10-7-4-9-11-6(7)3/h4H,1H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyFOVXUCLLKGJGNF-UHFFFAOYSA-N
XLogP1.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate (CID 89094185) is prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate is C=C(C)OC(=O)Nc1cn[nH]c1C.
What is the InChIKey of prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate?
The InChIKey is FOVXUCLLKGJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)13-8(12)10-7-4-9-11-6(7)3/h4H,1H2,2-3H3,(H,9,11)(H,10,12).
What are the key properties of prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate?
prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(5-methyl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 89094185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).