2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

C18H22N4O — CID 136578570

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CC3CCC2C3)cnn1-c1ccccn1
InChIInChI=1S/C18H22N4O/c1-12(2)17-15(10-20-22(17)16-5-3-4-8-19-16)18(23)21-11-13-6-7-14(21)9-13/h3-5,8,10,12-14H,6-7,9,11H2,1-2H3
InChIKeyIZLJPYDOKHYJIY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 136578570) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID136578570
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CC3CCC2C3)cnn1-c1ccccn1
InChIInChI=1S/C18H22N4O/c1-12(2)17-15(10-20-22(17)16-5-3-4-8-19-16)18(23)21-11-13-6-7-14(21)9-13/h3-5,8,10,12-14H,6-7,9,11H2,1-2H3
InChIKeyIZLJPYDOKHYJIY-UHFFFAOYSA-N
XLogP3.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone with MolForge

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Related Compounds

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CID 45226908
[3-(2-fluoroethoxy)azetidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
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N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
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N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126808071
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 62159557
N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38040355
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382
2-(4-fluorophenyl)-1-[4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 46433118
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 56572262
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 43070211

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 136578570) is 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is CC(C)c1c(C(=O)N2CC3CCC2C3)cnn1-c1ccccn1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is IZLJPYDOKHYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)17-15(10-20-22(17)16-5-3-4-8-19-16)18(23)21-11-13-6-7-14(21)9-13/h3-5,8,10,12-14H,6-7,9,11H2,1-2H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.02, 3 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-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 136578570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).