4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide

C12H22N4O2 — CID 55034163

IUPAC4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCCOCC)c1N
InChIInChI=1S/C12H22N4O2/c1-3-6-9-10(13)11(16-15-9)12(17)14-7-5-8-18-4-2/h3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAMPYQIBOYNEFKL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.10
Rot. Bonds8

About 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55034163) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55034163
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCCOCC)c1N
InChIInChI=1S/C12H22N4O2/c1-3-6-9-10(13)11(16-15-9)12(17)14-7-5-8-18-4-2/h3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAMPYQIBOYNEFKL-UHFFFAOYSA-N
XLogP1.10
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
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-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 55034163) is 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCCCOCC)c1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is AMPYQIBOYNEFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-6-9-10(13)11(16-15-9)12(17)14-7-5-8-18-4-2/h3-8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).