9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide

C19H24N4O — CID 120987708

IUPAC9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1cnn(-c3ccccc3)c1)C2
InChIInChI=1S/C19H24N4O/c20-18-13-5-4-6-14(18)10-15(9-13)19(24)22-16-11-21-23(12-16)17-7-2-1-3-8-17/h1-3,7-8,11-15,18H,4-6,9-10,20H2,(H,22,24)
InChIKeyXYEQELMQLRSWMY-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.96
Rot. Bonds3

About 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120987708) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120987708
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1cnn(-c3ccccc3)c1)C2
InChIInChI=1S/C19H24N4O/c20-18-13-5-4-6-14(18)10-15(9-13)19(24)22-16-11-21-23(12-16)17-7-2-1-3-8-17/h1-3,7-8,11-15,18H,4-6,9-10,20H2,(H,22,24)
InChIKeyXYEQELMQLRSWMY-UHFFFAOYSA-N
XLogP2.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
N-(1-phenylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119305780
6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 138010255
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988251
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984788
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120987708) is 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1cnn(-c3ccccc3)c1)C2.
What is the InChIKey of 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is XYEQELMQLRSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-18-13-5-4-6-14(18)10-15(9-13)19(24)22-16-11-21-23(12-16)17-7-2-1-3-8-17/h1-3,7-8,11-15,18H,4-6,9-10,20H2,(H,22,24).
What are the key properties of 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120987708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).