2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

C17H26N4O — CID 84584079

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCC1C2
InChIInChI=1S/C17H26N4O/c22-17(21-12-14-4-5-16(21)10-14)15-11-18-20(13-15)9-8-19-6-2-1-3-7-19/h11,13-14,16H,1-10,12H2
InChIKeyRXAUIMWOSJJICF-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.99
Rot. Bonds4

About 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (PubChem CID 84584079) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
PubChem CID84584079
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCC1C2
InChIInChI=1S/C17H26N4O/c22-17(21-12-14-4-5-16(21)10-14)15-11-18-20(13-15)9-8-19-6-2-1-3-7-19/h11,13-14,16H,1-10,12H2
InChIKeyRXAUIMWOSJJICF-UHFFFAOYSA-N
XLogP1.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596
(4aS*,7aS*)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]octahydro-1H-pyrrolo[3,4-b]pyridine
CID 70715204
(1-Cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927914
(1-Cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 71931829
(5S)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156475
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 129490806
(1S*,5R*)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 133132707
(4-Methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
CID 136557534
[1-(Cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 139021654
[(2R,4S)-4-fluoro-2-(trifluoromethyl)pyrrolidin-1-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 166280859
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}propanamide
CID 45186570

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (CID 84584079) is 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is O=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The InChIKey is RXAUIMWOSJJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(21-12-14-4-5-16(21)10-14)15-11-18-20(13-15)9-8-19-6-2-1-3-7-19/h11,13-14,16H,1-10,12H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 84584079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).