N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide

C13H20N4O — CID 66119836

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2C3CNCC32)n(CC)n1
InChIInChI=1S/C13H20N4O/c1-3-8-5-11(17(4-2)16-8)13(18)15-12-9-6-14-7-10(9)12/h5,9-10,12,14H,3-4,6-7H2,1-2H3,(H,15,18)
InChIKeyCSRQJVQXQONYIA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.41
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66119836) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66119836
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2C3CNCC32)n(CC)n1
InChIInChI=1S/C13H20N4O/c1-3-8-5-11(17(4-2)16-8)13(18)15-12-9-6-14-7-10(9)12/h5,9-10,12,14H,3-4,6-7H2,1-2H3,(H,15,18)
InChIKeyCSRQJVQXQONYIA-UHFFFAOYSA-N
XLogP0.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide (CID 66119836) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2C3CNCC32)n(CC)n1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is CSRQJVQXQONYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-8-5-11(17(4-2)16-8)13(18)15-12-9-6-14-7-10(9)12/h5,9-10,12,14H,3-4,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66119836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).