4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide

C10H18N4O3 — CID 114263631

IUPAC4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CCOCCO)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H18N4O3/c1-2-14(3-5-17-6-4-15)10(16)9-8(11)7-12-13-9/h7,15H,2-6,11H2,1H3,(H,12,13)
InChIKeyKSPHMKYRBZHDTR-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.54
Rot. Bonds7

About 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide

4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 114263631) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID114263631
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CCOCCO)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H18N4O3/c1-2-14(3-5-17-6-4-15)10(16)9-8(11)7-12-13-9/h7,15H,2-6,11H2,1H3,(H,12,13)
InChIKeyKSPHMKYRBZHDTR-UHFFFAOYSA-N
XLogP-0.54
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.54
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide (CID 114263631) is 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide is CCN(CCOCCO)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KSPHMKYRBZHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-14(3-5-17-6-4-15)10(16)9-8(11)7-12-13-9/h7,15H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114263631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).