2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

C18H25ClN4O2 — CID 72853038

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESCc1nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1Cl
InChIInChI=1S/C18H25ClN4O2/c1-12-16(19)10-22(20-12)11-17(24)23-8-13-5-6-15(23)9-21(7-13)18(25)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3/t13-,15+/m0/s1
InChIKeyMOGDWCGYMTZVJC-DZGCQCFKSA-N
MW364.88 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (PubChem CID 72853038) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
PubChem CID72853038
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESCc1nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1Cl
InChIInChI=1S/C18H25ClN4O2/c1-12-16(19)10-22(20-12)11-17(24)23-8-13-5-6-15(23)9-21(7-13)18(25)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3/t13-,15+/m0/s1
InChIKeyMOGDWCGYMTZVJC-DZGCQCFKSA-N
XLogP2.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (CID 72853038) is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The InChIKey is MOGDWCGYMTZVJC-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-12-16(19)10-22(20-12)11-17(24)23-8-13-5-6-15(23)9-21(7-13)18(25)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3/t13-,15+/m0/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone has a molecular weight of 364.88 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(1S,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is sourced from PubChem (CID 72853038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).