N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H30N4O — CID 122169759

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CC2CCCN3CCCCC23)n[nH]1
InChIInChI=1S/C18H30N4O/c1-13(2)15-11-16(20-19-15)18(23)21(3)12-14-7-6-10-22-9-5-4-8-17(14)22/h11,13-14,17H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyYADGTRYSWVNAOK-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.87
Rot. Bonds4

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 122169759) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID122169759
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CC2CCCN3CCCCC23)n[nH]1
InChIInChI=1S/C18H30N4O/c1-13(2)15-11-16(20-19-15)18(23)21(3)12-14-7-6-10-22-9-5-4-8-17(14)22/h11,13-14,17H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyYADGTRYSWVNAOK-UHFFFAOYSA-N
XLogP2.87
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 126418541
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 126418259
N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 129006403
N-methyl-5-propan-2-yl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129334863
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 126418654
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 110207967
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 124879553
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 126418394
N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 97085588

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 122169759) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)CC2CCCN3CCCCC23)n[nH]1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YADGTRYSWVNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13(2)15-11-16(20-19-15)18(23)21(3)12-14-7-6-10-22-9-5-4-8-17(14)22/h11,13-14,17H,4-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 122169759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).