ethyl N-(1-methylpyrazol-3-yl)carbamate

C7H11N3O2 — CID 60703854

IUPACethyl N-(1-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)8-6-4-5-10(2)9-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyLBEOEQBRBCDWQG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.99
Rot. Bonds2

About ethyl N-(1-methylpyrazol-3-yl)carbamate

ethyl N-(1-methylpyrazol-3-yl)carbamate (PubChem CID 60703854) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl N-(1-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methylpyrazol-3-yl)carbamate
PubChem CID60703854
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl N-(1-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)8-6-4-5-10(2)9-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyLBEOEQBRBCDWQG-UHFFFAOYSA-N
XLogP0.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylpyrazol-3-yl)carbamate?
The IUPAC name of ethyl N-(1-methylpyrazol-3-yl)carbamate (CID 60703854) is ethyl N-(1-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methylpyrazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-methylpyrazol-3-yl)carbamate is CCOC(=O)Nc1ccn(C)n1.
What is the InChIKey of ethyl N-(1-methylpyrazol-3-yl)carbamate?
The InChIKey is LBEOEQBRBCDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)8-6-4-5-10(2)9-6/h4-5H,3H2,1-2H3,(H,8,9,11).
What are the key properties of ethyl N-(1-methylpyrazol-3-yl)carbamate?
ethyl N-(1-methylpyrazol-3-yl)carbamate has a molecular weight of 169.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 60703854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).