N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride

C14H23ClN4O — CID 119458545

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-10-4-5-11(7-12)15-10;/h10-12,15H,4-7H2,1-3H3,(H,16,19);1H
InChIKeyFFDOVKMUGUMBPF-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.47
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119458545) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119458545
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-10-4-5-11(7-12)15-10;/h10-12,15H,4-7H2,1-3H3,(H,16,19);1H
InChIKeyFFDOVKMUGUMBPF-UHFFFAOYSA-N
XLogP1.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
CID 119459130
1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
CID 4866509
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575849
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 62896612
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119457590
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 63627481
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 119638383
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride (CID 119458545) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride is Cc1nn(C)c(C)c1C(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is FFDOVKMUGUMBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-10-4-5-11(7-12)15-10;/h10-12,15H,4-7H2,1-3H3,(H,16,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119458545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).