9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

C15H24N4O — CID 120985577

IUPAC9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCCC(C2)C3N)n(C)n1
InChIInChI=1S/C15H24N4O/c1-9-6-13(19(2)18-9)17-15(20)12-7-10-4-3-5-11(8-12)14(10)16/h6,10-12,14H,3-5,7-8,16H2,1-2H3,(H,17,20)
InChIKeyZRGULQQFNHVMSW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds2

About 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985577) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985577
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCCC(C2)C3N)n(C)n1
InChIInChI=1S/C15H24N4O/c1-9-6-13(19(2)18-9)17-15(20)12-7-10-4-3-5-11(8-12)14(10)16/h6,10-12,14H,3-5,7-8,16H2,1-2H3,(H,17,20)
InChIKeyZRGULQQFNHVMSW-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
9-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984788
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
9-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985667
N-(2,5-dimethylpyrazol-3-yl)piperidine-2-carboxamide
CID 18072575
4-amino-N-(2,5-dimethylpyrazol-3-yl)oxolane-3-carboxamide
CID 66241190
methyl 4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1-methylpyrrole-2-carboxylate
CID 120992002
9-amino-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989748
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988251

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120985577) is 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is Cc1cc(NC(=O)C2CC3CCCC(C2)C3N)n(C)n1.
What is the InChIKey of 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZRGULQQFNHVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9-6-13(19(2)18-9)17-15(20)12-7-10-4-3-5-11(8-12)14(10)16/h6,10-12,14H,3-5,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).