azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone

C18H23N3O — CID 17395851

IUPACazocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-15-11-12-19-21(15)17-9-7-16(8-10-17)18(22)20-13-5-3-2-4-6-14-20/h7-12H,2-6,13-14H2,1H3
InChIKeyFJSUITYVVZQWNR-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.59
Rot. Bonds2

About azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone

azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 17395851) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
PubChem CID17395851
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Nameazocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-15-11-12-19-21(15)17-9-7-16(8-10-17)18(22)20-13-5-3-2-4-6-14-20/h7-12H,2-6,13-14H2,1H3
InChIKeyFJSUITYVVZQWNR-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone 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

azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17401105
methyl 1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate
CID 47010037
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 29196139
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040249
[(2S)-4-[4-(5-methylpyrazol-1-yl)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 41250789
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17425720
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 17429847

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone (CID 17395851) is azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCCCCCC2)cc1.
What is the InChIKey of azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is FJSUITYVVZQWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-11-12-19-21(15)17-9-7-16(8-10-17)18(22)20-13-5-3-2-4-6-14-20/h7-12H,2-6,13-14H2,1H3.
What are the key properties of azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 297.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 17395851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).