(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H24N4O2 — CID 124592469

IUPAC(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C19H24N4O2/c24-18(22-12-7-19(14-22)8-13-25-15-19)20-10-6-16-2-4-17(5-3-16)23-11-1-9-21-23/h1-5,9,11H,6-8,10,12-15H2,(H,20,24)/t19-/m0/s1
InChIKeyYEOCTKLWAQEVLT-IBGZPJMESA-N
MW340.43 g/mol
LogP2.24
Rot. Bonds4

About (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 124592469) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID124592469
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C19H24N4O2/c24-18(22-12-7-19(14-22)8-13-25-15-19)20-10-6-16-2-4-17(5-3-16)23-11-1-9-21-23/h1-5,9,11H,6-8,10,12-15H2,(H,20,24)/t19-/m0/s1
InChIKeyYEOCTKLWAQEVLT-IBGZPJMESA-N
XLogP2.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 16608941
(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124595151
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 71967541
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990073
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 38205059
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55911251
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55922083
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 34001762
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 124592469) is (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is YEOCTKLWAQEVLT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(22-12-7-19(14-22)8-13-25-15-19)20-10-6-16-2-4-17(5-3-16)23-11-1-9-21-23/h1-5,9,11H,6-8,10,12-15H2,(H,20,24)/t19-/m0/s1.
What are the key properties of (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 124592469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).