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

C19H27N5O — CID 100906182

IUPACN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c1-n1cccc1
InChIInChI=1S/C19H27N5O/c1-22-19(24-10-4-5-11-24)16(14-21-22)18(25)20-13-15-7-6-12-23-9-3-2-8-17(15)23/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,20,25)/t15-,17-/m0/s1
InChIKeyKNHRZLCAJJLOMM-RDJZCZTQSA-N
MW341.46 g/mol
LogP2.21
Rot. Bonds4

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

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 100906182) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID100906182
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c1-n1cccc1
InChIInChI=1S/C19H27N5O/c1-22-19(24-10-4-5-11-24)16(14-21-22)18(25)20-13-15-7-6-12-23-9-3-2-8-17(15)23/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,20,25)/t15-,17-/m0/s1
InChIKeyKNHRZLCAJJLOMM-RDJZCZTQSA-N
XLogP2.21
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51043240
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94006778
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 45369646
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162844227
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91636886
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 100905771
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51076591
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86822466
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 125318592
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789

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]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 100906182) is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c1-n1cccc1.
What is the InChIKey of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KNHRZLCAJJLOMM-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22-19(24-10-4-5-11-24)16(14-21-22)18(25)20-13-15-7-6-12-23-9-3-2-8-17(15)23/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,20,25)/t15-,17-/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]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 100906182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).