5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane

C17H22N4 — CID 67050033

IUPAC5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
SMILESCc1n[nH]c(C)c1-c1ccc(C23CCCN(CC2)C3)cn1
InChIInChI=1S/C17H22N4/c1-12-16(13(2)20-19-12)15-5-4-14(10-18-15)17-6-3-8-21(11-17)9-7-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyRCPHFFUZQGICPZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.83
Rot. Bonds2

About 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane

5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane (PubChem CID 67050033) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
PubChem CID67050033
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane
SMILESCc1n[nH]c(C)c1-c1ccc(C23CCCN(CC2)C3)cn1
InChIInChI=1S/C17H22N4/c1-12-16(13(2)20-19-12)15-5-4-14(10-18-15)17-6-3-8-21(11-17)9-7-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyRCPHFFUZQGICPZ-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane (CID 67050033) is 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane is Cc1n[nH]c(C)c1-c1ccc(C23CCCN(CC2)C3)cn1.
What is the InChIKey of 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
The InChIKey is RCPHFFUZQGICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-16(13(2)20-19-12)15-5-4-14(10-18-15)17-6-3-8-21(11-17)9-7-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane?
5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane has a molecular weight of 282.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67050033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).