N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide

C7H11N3O2 — CID 43582314

IUPACN-(2-methoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyUOYDEAFQUBRDHV-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.21
Rot. Bonds4

About N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide

N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582314) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582314
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-methoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O2/c1-12-3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyUOYDEAFQUBRDHV-UHFFFAOYSA-N
XLogP-0.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide (CID 43582314) is N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide is COCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UOYDEAFQUBRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).