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

C9H15N3O3 — CID 59319955

IUPACmethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate
SMILESCOCCn1cc(N(C)C(=O)OC)cn1
InChIInChI=1S/C9H15N3O3/c1-11(9(13)15-3)8-6-10-12(7-8)4-5-14-2/h6-7H,4-5H2,1-3H3
InChIKeyNCSYSZDNFMDZPL-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.73
Rot. Bonds4

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

methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate (PubChem CID 59319955) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate
PubChem CID59319955
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate
SMILESCOCCn1cc(N(C)C(=O)OC)cn1
InChIInChI=1S/C9H15N3O3/c1-11(9(13)15-3)8-6-10-12(7-8)4-5-14-2/h6-7H,4-5H2,1-3H3
InChIKeyNCSYSZDNFMDZPL-UHFFFAOYSA-N
XLogP0.73
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.73
H-Bond Donors ≤ 50
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]-N-methylcarbamate?
The IUPAC name of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate (CID 59319955) is methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate is COCCn1cc(N(C)C(=O)OC)cn1.
What is the InChIKey of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate?
The InChIKey is NCSYSZDNFMDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-11(9(13)15-3)8-6-10-12(7-8)4-5-14-2/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate?
methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate has a molecular weight of 213.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 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]-N-methylcarbamate is sourced from PubChem (CID 59319955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).