1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid

C15H16N4O2 — CID 156825983

IUPAC1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4CC4C3)cn2)c1
InChIInChI=1S/C15H16N4O2/c20-15(21)12-4-17-19(8-12)9-13-1-2-14(5-16-13)18-6-10-3-11(10)7-18/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21)
InChIKeyMQASEBXEIBSUTG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.48
Rot. Bonds4

About 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid

1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 156825983) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
PubChem CID156825983
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4CC4C3)cn2)c1
InChIInChI=1S/C15H16N4O2/c20-15(21)12-4-17-19(8-12)9-13-1-2-14(5-16-13)18-6-10-3-11(10)7-18/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21)
InChIKeyMQASEBXEIBSUTG-UHFFFAOYSA-N
XLogP1.48
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid (CID 156825983) is 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2ccc(N3CC4CC4C3)cn2)c1.
What is the InChIKey of 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is MQASEBXEIBSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-15(21)12-4-17-19(8-12)9-13-1-2-14(5-16-13)18-6-10-3-11(10)7-18/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21).
What are the key properties of 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 156825983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).