5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid

C18H21N3O3 — CID 166282946

IUPAC5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)C1CN(Cc2cc(-c3ccccc3)n[nH]2)C2(CCC2)CO1
InChIInChI=1S/C18H21N3O3/c22-17(23)16-11-21(18(12-24-16)7-4-8-18)10-14-9-15(20-19-14)13-5-2-1-3-6-13/h1-3,5-6,9,16H,4,7-8,10-12H2,(H,19,20)(H,22,23)
InChIKeyHEXSOUNCLURWNY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.28
Rot. Bonds4

About 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid

5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 166282946) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID166282946
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)C1CN(Cc2cc(-c3ccccc3)n[nH]2)C2(CCC2)CO1
InChIInChI=1S/C18H21N3O3/c22-17(23)16-11-21(18(12-24-16)7-4-8-18)10-14-9-15(20-19-14)13-5-2-1-3-6-13/h1-3,5-6,9,16H,4,7-8,10-12H2,(H,19,20)(H,22,23)
InChIKeyHEXSOUNCLURWNY-UHFFFAOYSA-N
XLogP2.28
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid with MolForge

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Related Compounds

5-[(4-pyrazol-1-ylphenyl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
CID 166282955
4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 166369200
methyl (2R,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 99612817
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
CID 166236703
N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide
CID 166285685
N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131893148
1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine
CID 167879943
3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781769
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862
2-(3-phenyl-1H-pyrazol-5-yl)cyclohexene-1-carboxylic acid
CID 21400834

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid (CID 166282946) is 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid is O=C(O)C1CN(Cc2cc(-c3ccccc3)n[nH]2)C2(CCC2)CO1.
What is the InChIKey of 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is HEXSOUNCLURWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(23)16-11-21(18(12-24-16)7-4-8-18)10-14-9-15(20-19-14)13-5-2-1-3-6-13/h1-3,5-6,9,16H,4,7-8,10-12H2,(H,19,20)(H,22,23).
What are the key properties of 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenyl-1H-pyrazol-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 166282946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).