N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C18H24N4O2 — CID 99732094

IUPACN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H24N4O2/c23-18(15-11-14(20-21-15)17-7-4-10-24-17)19-12-13-5-3-9-22-8-2-1-6-16(13)22/h4,7,10-11,13,16H,1-3,5-6,8-9,12H2,(H,19,23)(H,20,21)/t13-,16-/m0/s1
InChIKeyYSVKCYCPZSDEBP-BBRMVZONSA-N
MW328.42 g/mol
LogP2.66
Rot. Bonds4

About N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 99732094) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID99732094
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H24N4O2/c23-18(15-11-14(20-21-15)17-7-4-10-24-17)19-12-13-5-3-9-22-8-2-1-6-16(13)22/h4,7,10-11,13,16H,1-3,5-6,8-9,12H2,(H,19,23)(H,20,21)/t13-,16-/m0/s1
InChIKeyYSVKCYCPZSDEBP-BBRMVZONSA-N
XLogP2.66
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 99732094) is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YSVKCYCPZSDEBP-BBRMVZONSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(15-11-14(20-21-15)17-7-4-10-24-17)19-12-13-5-3-9-22-8-2-1-6-16(13)22/h4,7,10-11,13,16H,1-3,5-6,8-9,12H2,(H,19,23)(H,20,21)/t13-,16-/m0/s1.
What are the key properties of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99732094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).