7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one

C20H18N4O2 — CID 154847712

IUPAC7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
SMILESO=C1CN(C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)CC2(CC2)N1
InChIInChI=1S/C20H18N4O2/c25-18-11-24(12-20(21-18)7-8-20)19(26)17-10-16(22-23-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10H,7-8,11-12H2,(H,21,25)(H,22,23)
InChIKeyBCGJGTCSQYHKON-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.33
Rot. Bonds2

About 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one

7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one (PubChem CID 154847712) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
PubChem CID154847712
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
SMILESO=C1CN(C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)CC2(CC2)N1
InChIInChI=1S/C20H18N4O2/c25-18-11-24(12-20(21-18)7-8-20)19(26)17-10-16(22-23-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10H,7-8,11-12H2,(H,21,25)(H,22,23)
InChIKeyBCGJGTCSQYHKON-UHFFFAOYSA-N
XLogP2.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3a,6a-dimethyl-5-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,6-dihydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166249068
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842100
(3-naphthalen-2-yl-1H-pyrazol-5-yl)-[4-(triazol-1-yl)azepan-1-yl]methanone
CID 166250141
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154850370
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 74244859
3-naphthalen-2-yl-6-oxo-1H-pyridazine-5-carboxamide
CID 131863808
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
CID 166281669
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136917830

Frequently Asked Questions

What is the IUPAC name of 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The IUPAC name of 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one (CID 154847712) is 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one.
What is the SMILES notation for 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The canonical SMILES for 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one is O=C1CN(C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)CC2(CC2)N1.
What is the InChIKey of 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The InChIKey is BCGJGTCSQYHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-18-11-24(12-20(21-18)7-8-20)19(26)17-10-16(22-23-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10H,7-8,11-12H2,(H,21,25)(H,22,23).
What are the key properties of 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one has a molecular weight of 346.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one is sourced from PubChem (CID 154847712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).