9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C15H25ClN4O — CID 120993566

IUPAC9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1cn[nH]c1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-9(13-7-17-18-8-13)19-15(20)12-5-10-3-2-4-11(6-12)14(10)16;/h7-12,14H,2-6,16H2,1H3,(H,17,18)(H,19,20);1H
InChIKeyQHWXLKPXPBJMPW-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.16
Rot. Bonds3

About 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120993566) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120993566
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1cn[nH]c1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-9(13-7-17-18-8-13)19-15(20)12-5-10-3-2-4-11(6-12)14(10)16;/h7-12,14H,2-6,16H2,1H3,(H,17,18)(H,19,20);1H
InChIKeyQHWXLKPXPBJMPW-UHFFFAOYSA-N
XLogP2.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913
9-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984029
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595
9-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991008
9-amino-N-[1-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985375

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120993566) is 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(NC(=O)C1CC2CCCC(C1)C2N)c1cn[nH]c1.Cl.
What is the InChIKey of 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is QHWXLKPXPBJMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-9(13-7-17-18-8-13)19-15(20)12-5-10-3-2-4-11(6-12)14(10)16;/h7-12,14H,2-6,16H2,1H3,(H,17,18)(H,19,20);1H.
What are the key properties of 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120993566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).