N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide

C8H14N4O2 — CID 141081208

IUPACN-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
SMILESO=C(NCCNCCO)n1cccn1
InChIInChI=1S/C8H14N4O2/c13-7-5-9-3-4-10-8(14)12-6-1-2-11-12/h1-2,6,9,13H,3-5,7H2,(H,10,14)
InChIKeyABVXSTYOTAZGBZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.98
Rot. Bonds5

About N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide

N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide (PubChem CID 141081208) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
PubChem CID141081208
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
SMILESO=C(NCCNCCO)n1cccn1
InChIInChI=1S/C8H14N4O2/c13-7-5-9-3-4-10-8(14)12-6-1-2-11-12/h1-2,6,9,13H,3-5,7H2,(H,10,14)
InChIKeyABVXSTYOTAZGBZ-UHFFFAOYSA-N
XLogP-0.98
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
CID 141081196
N-(2-aminoethyl)pyrazole-1-carboxamide
CID 141081184
N-pentylpyrazole-1-carboxamide
CID 134846837
N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-methylpyrazole-1-carboxamide;propane
CID 90891150
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
CID 118526786
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite
CID 122483006
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide (CID 141081208) is N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide is O=C(NCCNCCO)n1cccn1.
What is the InChIKey of N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide?
The InChIKey is ABVXSTYOTAZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c13-7-5-9-3-4-10-8(14)12-6-1-2-11-12/h1-2,6,9,13H,3-5,7H2,(H,10,14).
What are the key properties of N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide?
N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 141081208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).