5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide

C8H14N4O3 — CID 110484124

IUPAC5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOC(CNC(=O)c1cn[nH]c1N)OC
InChIInChI=1S/C8H14N4O3/c1-14-6(15-2)4-10-8(13)5-3-11-12-7(5)9/h3,6H,4H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyRHESINIACJHYMM-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.66
Rot. Bonds5

About 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 110484124) has the molecular formula C8H14N4O3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID110484124
Molecular FormulaC8H14N4O3
Molecular Weight214.23 g/mol
Exact Mass214.11
IUPAC Name5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCOC(CNC(=O)c1cn[nH]c1N)OC
InChIInChI=1S/C8H14N4O3/c1-14-6(15-2)4-10-8(13)5-3-11-12-7(5)9/h3,6H,4H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyRHESINIACJHYMM-UHFFFAOYSA-N
XLogP-0.66
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide (CID 110484124) is 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide is COC(CNC(=O)c1cn[nH]c1N)OC.
What is the InChIKey of 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RHESINIACJHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-14-6(15-2)4-10-8(13)5-3-11-12-7(5)9/h3,6H,4H2,1-2H3,(H,10,13)(H3,9,11,12).
What are the key properties of 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 214.23 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110484124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).