(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide

C18H28N4O2 — CID 124730444

IUPAC(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1C[C@H]2CCC[C@@H](C1)C2O
InChIInChI=1S/C18H28N4O2/c23-17-13-5-3-6-14(17)12-21(11-13)18(24)20-15-7-1-2-8-16(15)22-10-4-9-19-22/h4,9-10,13-17,23H,1-3,5-8,11-12H2,(H,20,24)/t13-,14+,15-,16-,17?/m1/s1
InChIKeyHNBBIFNJUSQDKI-AKWQBFHWSA-N
MW332.45 g/mol
LogP2.17
Rot. Bonds2

About (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide

(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 124730444) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID124730444
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1C[C@H]2CCC[C@@H](C1)C2O
InChIInChI=1S/C18H28N4O2/c23-17-13-5-3-6-14(17)12-21(11-13)18(24)20-15-7-1-2-8-16(15)22-10-4-9-19-22/h4,9-10,13-17,23H,1-3,5-8,11-12H2,(H,20,24)/t13-,14+,15-,16-,17?/m1/s1
InChIKeyHNBBIFNJUSQDKI-AKWQBFHWSA-N
XLogP2.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(1H-imidazol-2-yl)-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]piperidine-1-carboxamide
CID 97085034
1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
CID 154854688
(3R)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124776517
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
CID 124850298
5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide
CID 124624705
N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
CID 128915883
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
CID 86789203

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide (CID 124730444) is (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1C[C@H]2CCC[C@@H](C1)C2O.
What is the InChIKey of (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HNBBIFNJUSQDKI-AKWQBFHWSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-13-5-3-6-14(17)12-21(11-13)18(24)20-15-7-1-2-8-16(15)22-10-4-9-19-22/h4,9-10,13-17,23H,1-3,5-8,11-12H2,(H,20,24)/t13-,14+,15-,16-,17?/m1/s1.
What are the key properties of (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 124730444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).