9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide

C21H28N4O — CID 120988251

IUPAC9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccnn1CCc1ccccc1)C2
InChIInChI=1S/C21H28N4O/c22-20-16-7-4-8-17(20)14-18(13-16)21(26)24-19-9-11-23-25(19)12-10-15-5-2-1-3-6-15/h1-3,5-6,9,11,16-18,20H,4,7-8,10,12-14,22H2,(H,24,26)
InChIKeyWHSVBXGHAOFFID-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.22
Rot. Bonds5

About 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120988251) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120988251
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccnn1CCc1ccccc1)C2
InChIInChI=1S/C21H28N4O/c22-20-16-7-4-8-17(20)14-18(13-16)21(26)24-19-9-11-23-25(19)12-10-15-5-2-1-3-6-15/h1-3,5-6,9,11,16-18,20H,4,7-8,10,12-14,22H2,(H,24,26)
InChIKeyWHSVBXGHAOFFID-UHFFFAOYSA-N
XLogP3.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(2-phenylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110014410
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984788
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442
(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 52509395
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
2-hydroxy-2-phenyl-N-[2-(2-phenylethyl)pyrazol-3-yl]acetamide
CID 111432601
4-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 86800393
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120988251) is 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1ccnn1CCc1ccccc1)C2.
What is the InChIKey of 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WHSVBXGHAOFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c22-20-16-7-4-8-17(20)14-18(13-16)21(26)24-19-9-11-23-25(19)12-10-15-5-2-1-3-6-15/h1-3,5-6,9,11,16-18,20H,4,7-8,10,12-14,22H2,(H,24,26).
What are the key properties of 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120988251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).