4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C13H24N4O2 — CID 55227290

IUPAC4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-5-17(7-8-19-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h9H,5-8,14H2,1-4H3,(H,15,16)
InChIKeySIOGHBOHYRBNRC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.61
Rot. Bonds7

About 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55227290) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55227290
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-5-17(7-8-19-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h9H,5-8,14H2,1-4H3,(H,15,16)
InChIKeySIOGHBOHYRBNRC-UHFFFAOYSA-N
XLogP1.61
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 55227290) is 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCOCCN(CC)C(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SIOGHBOHYRBNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17(7-8-19-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h9H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55227290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).