4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide

C8H14N4O3 — CID 107345439

IUPAC4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CCOCCO)cc1N
InChIInChI=1S/C8H14N4O3/c9-6-5-12(1-3-15-4-2-13)11-7(6)8(10)14/h5,13H,1-4,9H2,(H2,10,14)
InChIKeyKEZMZCRFGXDGKS-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.43
Rot. Bonds6

About 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide

4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide (PubChem CID 107345439) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
PubChem CID107345439
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CCOCCO)cc1N
InChIInChI=1S/C8H14N4O3/c9-6-5-12(1-3-15-4-2-13)11-7(6)8(10)14/h5,13H,1-4,9H2,(H2,10,14)
InChIKeyKEZMZCRFGXDGKS-UHFFFAOYSA-N
XLogP-1.43
TPSA116.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
CID 107345280
4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
CID 107344234
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129
4-amino-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 107345312
2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol
CID 61070904
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
CID 138695018
4-amino-1-[(2-methyltetrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 107345303
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide (CID 107345439) is 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide is NC(=O)c1nn(CCOCCO)cc1N.
What is the InChIKey of 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide?
The InChIKey is KEZMZCRFGXDGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-6-5-12(1-3-15-4-2-13)11-7(6)8(10)14/h5,13H,1-4,9H2,(H2,10,14).
What are the key properties of 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide?
4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).