N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide

C12H18N4O — CID 113225212

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN2CCCC2C1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O/c17-12(9-7-13-14-8-9)15-10-3-5-16-4-1-2-11(16)6-10/h7-8,10-11H,1-6H2,(H,13,14)(H,15,17)
InChIKeyKTBCMMXKLKLMDK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.77
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide (PubChem CID 113225212) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
PubChem CID113225212
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN2CCCC2C1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O/c17-12(9-7-13-14-8-9)15-10-3-5-16-4-1-2-11(16)6-10/h7-8,10-11H,1-6H2,(H,13,14)(H,15,17)
InChIKeyKTBCMMXKLKLMDK-UHFFFAOYSA-N
XLogP0.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 77088115
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
CID 61258528
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5,6-dichloropyridine-3-carboxamide
CID 78968147
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide
CID 78916895
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dihydroxybenzamide
CID 103890321
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluoro-3-sulfanylbenzamide
CID 107033170
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)thiophene-2-carboxamide
CID 113223630

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide (CID 113225212) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCN2CCCC2C1)c1cn[nH]c1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is KTBCMMXKLKLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(9-7-13-14-8-9)15-10-3-5-16-4-1-2-11(16)6-10/h7-8,10-11H,1-6H2,(H,13,14)(H,15,17).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113225212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).