[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid

C7H11N3O3 — CID 68595819

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid
SMILESCOCCn1cc(NC(=O)O)cn1
InChIInChI=1S/C7H11N3O3/c1-13-3-2-10-5-6(4-8-10)9-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyQEGNVSDIPNODEC-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.62
Rot. Bonds4

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

[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid (PubChem CID 68595819) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid
PubChem CID68595819
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid
SMILESCOCCn1cc(NC(=O)O)cn1
InChIInChI=1S/C7H11N3O3/c1-13-3-2-10-5-6(4-8-10)9-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyQEGNVSDIPNODEC-UHFFFAOYSA-N
XLogP0.62
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid (CID 68595819) is [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid is COCCn1cc(NC(=O)O)cn1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid?
The InChIKey is QEGNVSDIPNODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-13-3-2-10-5-6(4-8-10)9-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12).
What are the key properties of [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid?
[1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid has a molecular weight of 185.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-4-yl]carbamic acid is sourced from PubChem (CID 68595819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).