(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C17H20N4O — CID 124701403

IUPAC(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H20N4O/c22-16(15-12-17(15)6-9-18-10-7-17)20-13-2-4-14(5-3-13)21-11-1-8-19-21/h1-5,8,11,15,18H,6-7,9-10,12H2,(H,20,22)/t15-/m1/s1
InChIKeyNASNKJVJDMLOQA-OAHLLOKOSA-N
MW296.37 g/mol
LogP2.20
Rot. Bonds3

About (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124701403) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124701403
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H20N4O/c22-16(15-12-17(15)6-9-18-10-7-17)20-13-2-4-14(5-3-13)21-11-1-8-19-21/h1-5,8,11,15,18H,6-7,9-10,12H2,(H,20,22)/t15-/m1/s1
InChIKeyNASNKJVJDMLOQA-OAHLLOKOSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45208768
(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42359216
6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165906
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119702351
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
N-(2,6-dichlorophenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65469174
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154912274

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 124701403) is (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCNCC2.
What is the InChIKey of (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NASNKJVJDMLOQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(15-12-17(15)6-9-18-10-7-17)20-13-2-4-14(5-3-13)21-11-1-8-19-21/h1-5,8,11,15,18H,6-7,9-10,12H2,(H,20,22)/t15-/m1/s1.
What are the key properties of (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124701403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).