[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C20H25FN4O — CID 70769158

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2
InChIInChI=1S/C20H25FN4O/c1-2-9-24-11-14-7-8-15(24)13-25(12-14)20(26)19-10-18(22-23-19)16-5-3-4-6-17(16)21/h3-6,10,14-15H,2,7-9,11-13H2,1H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyPQMYFZGZXDHLBM-HUUCEWRRSA-N
MW356.44 g/mol
LogP3.16
Rot. Bonds4

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 70769158) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID70769158
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2
InChIInChI=1S/C20H25FN4O/c1-2-9-24-11-14-7-8-15(24)13-25(12-14)20(26)19-10-18(22-23-19)16-5-3-4-6-17(16)21/h3-6,10,14-15H,2,7-9,11-13H2,1H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyPQMYFZGZXDHLBM-HUUCEWRRSA-N
XLogP3.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-6-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 164634076
[(1S,5S)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 133131953
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
CID 70705153
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70756793
(3-chloro-2-methylphenyl)-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133124675
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124974682
phenyl-[(1R,5R)-6-(2-propoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72925888
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 74250471
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 70769158) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is PQMYFZGZXDHLBM-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-9-24-11-14-7-8-15(24)13-25(12-14)20(26)19-10-18(22-23-19)16-5-3-4-6-17(16)21/h3-6,10,14-15H,2,7-9,11-13H2,1H3,(H,22,23)/t14-,15-/m1/s1.
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 70769158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).