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

C11H19ClN4O3 — CID 142435455

IUPACN-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
SMILESCOCCOc1cc(NC(=O)C2CNC2)nn1C.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-15-10(18-4-3-17-2)5-9(14-15)13-11(16)8-6-12-7-8;/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14,16);1H
InChIKeyBXOVAFKGJMVAKZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP0.03
Rot. Bonds6

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

N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride (PubChem CID 142435455) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
PubChem CID142435455
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC NameN-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride
SMILESCOCCOc1cc(NC(=O)C2CNC2)nn1C.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-15-10(18-4-3-17-2)5-9(14-15)13-11(16)8-6-12-7-8;/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14,16);1H
InChIKeyBXOVAFKGJMVAKZ-UHFFFAOYSA-N
XLogP0.03
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride (CID 142435455) is N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride is COCCOc1cc(NC(=O)C2CNC2)nn1C.Cl.
What is the InChIKey of N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
The InChIKey is BXOVAFKGJMVAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-15-10(18-4-3-17-2)5-9(14-15)13-11(16)8-6-12-7-8;/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14,16);1H.
What are the key properties of N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride?
N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethoxy)-1-methylpyrazol-3-yl]azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142435455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).