9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H27ClN4O — CID 120984788

IUPAC9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)n1nccc1NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-10(2)20-14(6-7-18-20)19-16(21)13-8-11-4-3-5-12(9-13)15(11)17;/h6-7,10-13,15H,3-5,8-9,17H2,1-2H3,(H,19,21);1H
InChIKeyMZCKSPFGTPXQGM-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.98
Rot. Bonds3

About 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984788) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984788
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)n1nccc1NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-10(2)20-14(6-7-18-20)19-16(21)13-8-11-4-3-5-12(9-13)15(11)17;/h6-7,10-13,15H,3-5,8-9,17H2,1-2H3,(H,19,21);1H
InChIKeyMZCKSPFGTPXQGM-UHFFFAOYSA-N
XLogP2.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
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CID 64817560
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
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9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
1-(2,3-dimethylcyclohexyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916132
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984788) is 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)n1nccc1NC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is MZCKSPFGTPXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-10(2)20-14(6-7-18-20)19-16(21)13-8-11-4-3-5-12(9-13)15(11)17;/h6-7,10-13,15H,3-5,8-9,17H2,1-2H3,(H,19,21);1H.
What are the key properties of 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).