N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride

C13H23ClN4O4 — CID 142435386

IUPACN-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
SMILESCOCCOCCOc1cc(NC(=O)C2CNC2)nn1C.Cl
InChIInChI=1S/C13H22N4O4.ClH/c1-17-12(21-6-5-20-4-3-19-2)7-11(16-17)15-13(18)10-8-14-9-10;/h7,10,14H,3-6,8-9H2,1-2H3,(H,15,16,18);1H
InChIKeyQWZVNORNXGJHBQ-UHFFFAOYSA-N
MW334.80 g/mol
LogP0.04
Rot. Bonds9

About N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride

N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride (PubChem CID 142435386) has the molecular formula C13H23ClN4O4 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
PubChem CID142435386
Molecular FormulaC13H23ClN4O4
Molecular Weight334.80 g/mol
Exact Mass334.14
IUPAC NameN-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
SMILESCOCCOCCOc1cc(NC(=O)C2CNC2)nn1C.Cl
InChIInChI=1S/C13H22N4O4.ClH/c1-17-12(21-6-5-20-4-3-19-2)7-11(16-17)15-13(18)10-8-14-9-10;/h7,10,14H,3-6,8-9H2,1-2H3,(H,15,16,18);1H
InChIKeyQWZVNORNXGJHBQ-UHFFFAOYSA-N
XLogP0.04
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride (CID 142435386) is N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride is COCCOCCOc1cc(NC(=O)C2CNC2)nn1C.Cl.
What is the InChIKey of N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The InChIKey is QWZVNORNXGJHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4.ClH/c1-17-12(21-6-5-20-4-3-19-2)7-11(16-17)15-13(18)10-8-14-9-10;/h7,10,14H,3-6,8-9H2,1-2H3,(H,15,16,18);1H.
What are the key properties of N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142435386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).