1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide

C15H24N4O — CID 4866509

IUPAC1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C15H24N4O/c1-9-14(10(2)19(4)17-9)15(20)16-11-7-12-5-6-13(8-11)18(12)3/h11-13H,5-8H2,1-4H3,(H,16,20)
InChIKeyQZIVZNFVLJBITH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds2

About 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide (PubChem CID 4866509) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
PubChem CID4866509
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C15H24N4O/c1-9-14(10(2)19(4)17-9)15(20)16-11-7-12-5-6-13(8-11)18(12)3/h11-13H,5-8H2,1-4H3,(H,16,20)
InChIKeyQZIVZNFVLJBITH-UHFFFAOYSA-N
XLogP1.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide (CID 4866509) is 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide?
The InChIKey is QZIVZNFVLJBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9-14(10(2)19(4)17-9)15(20)16-11-7-12-5-6-13(8-11)18(12)3/h11-13H,5-8H2,1-4H3,(H,16,20).
What are the key properties of 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4866509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).