3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone

C18H22N4O — CID 119636938

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3CCC(C2)N3)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-17(20-22(13)16-5-3-2-4-6-16)18(23)21-10-9-14-7-8-15(12-21)19-14/h2-6,11,14-15,19H,7-10,12H2,1H3
InChIKeyZRCJJTIBCOVDEA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds2

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone (PubChem CID 119636938) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
PubChem CID119636938
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3CCC(C2)N3)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-17(20-22(13)16-5-3-2-4-6-16)18(23)21-10-9-14-7-8-15(12-21)19-14/h2-6,11,14-15,19H,7-10,12H2,1H3
InChIKeyZRCJJTIBCOVDEA-UHFFFAOYSA-N
XLogP2.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)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

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997379
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone;hydrochloride
CID 119636614
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119635418
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone (CID 119636938) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3CCC(C2)N3)nn1-c1ccccc1.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The InChIKey is ZRCJJTIBCOVDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-17(20-22(13)16-5-3-2-4-6-16)18(23)21-10-9-14-7-8-15(12-21)19-14/h2-6,11,14-15,19H,7-10,12H2,1H3.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 119636938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).