methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate

C8H13N3O3 — CID 70294041

IUPACmethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
SMILESCOCCn1cc(NC(=O)OC)cn1
InChIInChI=1S/C8H13N3O3/c1-13-4-3-11-6-7(5-9-11)10-8(12)14-2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyBUONDMNIHSGANH-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.71
Rot. Bonds4

About methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate

methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate (PubChem CID 70294041) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
PubChem CID70294041
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
SMILESCOCCn1cc(NC(=O)OC)cn1
InChIInChI=1S/C8H13N3O3/c1-13-4-3-11-6-7(5-9-11)10-8(12)14-2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyBUONDMNIHSGANH-UHFFFAOYSA-N
XLogP0.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The IUPAC name of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate (CID 70294041) is methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate is COCCn1cc(NC(=O)OC)cn1.
What is the InChIKey of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
The InChIKey is BUONDMNIHSGANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-13-4-3-11-6-7(5-9-11)10-8(12)14-2/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate?
methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 70294041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).