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

C7H11N3O3 — CID 68570482

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
SMILESCOCCn1cc(OC(N)=O)cn1
InChIInChI=1S/C7H11N3O3/c1-12-3-2-10-5-6(4-9-10)13-7(8)11/h4-5H,2-3H2,1H3,(H2,8,11)
InChIKeyUDDOVWOCZOWVIN-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.01
Rot. Bonds4

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

[1-(2-methoxyethyl)pyrazol-4-yl] carbamate (PubChem CID 68570482) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-4-yl] carbamate.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
PubChem CID68570482
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
SMILESCOCCn1cc(OC(N)=O)cn1
InChIInChI=1S/C7H11N3O3/c1-12-3-2-10-5-6(4-9-10)13-7(8)11/h4-5H,2-3H2,1H3,(H2,8,11)
InChIKeyUDDOVWOCZOWVIN-UHFFFAOYSA-N
XLogP-0.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
phenyl 1-(2-methoxyethyl)pyrazole-4-carboxylate
CID 58592595
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
[1-(2-methoxyethyl)pyrazol-4-yl]methanethiol
CID 155403637
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
6-ethyl-4-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-carboxamide;propane
CID 170574669
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl] carbamate?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl] carbamate (CID 68570482) is [1-(2-methoxyethyl)pyrazol-4-yl] carbamate.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-4-yl] carbamate?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-4-yl] carbamate is COCCn1cc(OC(N)=O)cn1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl] carbamate?
The InChIKey is UDDOVWOCZOWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-3-2-10-5-6(4-9-10)13-7(8)11/h4-5H,2-3H2,1H3,(H2,8,11).
What are the key properties of [1-(2-methoxyethyl)pyrazol-4-yl] carbamate?
[1-(2-methoxyethyl)pyrazol-4-yl] carbamate has a molecular weight of 185.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-4-yl] carbamate is sourced from PubChem (CID 68570482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).