N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

C12H19ClN4O — CID 119456298

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3)n[nH]1.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-7-4-11(16-15-7)12(17)14-10-5-8-2-3-9(6-10)13-8;/h4,8-10,13H,2-3,5-6H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyPNCJNDUKUJRQMY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.15
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119456298) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119456298
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3)n[nH]1.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-7-4-11(16-15-7)12(17)14-10-5-8-2-3-9(6-10)13-8;/h4,8-10,13H,2-3,5-6H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyPNCJNDUKUJRQMY-UHFFFAOYSA-N
XLogP1.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119456298) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CC3CCC(C2)N3)n[nH]1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PNCJNDUKUJRQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c1-7-4-11(16-15-7)12(17)14-10-5-8-2-3-9(6-10)13-8;/h4,8-10,13H,2-3,5-6H2,1H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119456298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).