3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide

C17H27ClN4O — CID 72861412

IUPAC3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCn1cc(Cl)cn1
InChIInChI=1S/C17H27ClN4O/c18-15-12-20-22(13-15)11-8-19-17(23)7-6-14-4-3-10-21-9-2-1-5-16(14)21/h12-14,16H,1-11H2,(H,19,23)/t14-,16+/m0/s1
InChIKeyHZNHOSAPAKXASV-GOEBONIOSA-N
MW338.88 g/mol
LogP2.70
Rot. Bonds6

About 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide

3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide (PubChem CID 72861412) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
PubChem CID72861412
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCn1cc(Cl)cn1
InChIInChI=1S/C17H27ClN4O/c18-15-12-20-22(13-15)11-8-19-17(23)7-6-14-4-3-10-21-9-2-1-5-16(14)21/h12-14,16H,1-11H2,(H,19,23)/t14-,16+/m0/s1
InChIKeyHZNHOSAPAKXASV-GOEBONIOSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide 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

cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
(4aS*,8aR*)-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56908199
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70740860
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
(4aS*,8aR*)-6-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-1-(3-methylbutyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70741958
N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide
CID 19283584
(4aS*,8aR*)-6-[(4-chloro-1H-pyrazol-1-yl)acetyl]-1-[2-(methylamino)ethyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56883340
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56885344
(4aS*,8aR*)-6-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56886740
(4aS*,8aR*)-1-(2-aminoethyl)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56892813
(4aS*,8aR*)-6-[(4-chloro-1H-pyrazol-1-yl)acetyl]-1-(3-hydroxypropyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56896783
(4aS*,8aR*)-1-isobutyl-6-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56897604

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide (CID 72861412) is 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide is O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCn1cc(Cl)cn1.
What is the InChIKey of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The InChIKey is HZNHOSAPAKXASV-GOEBONIOSA-N. The full InChI is InChI=1S/C17H27ClN4O/c18-15-12-20-22(13-15)11-8-19-17(23)7-6-14-4-3-10-21-9-2-1-5-16(14)21/h12-14,16H,1-11H2,(H,19,23)/t14-,16+/m0/s1.
What are the key properties of 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide has a molecular weight of 338.88 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 72861412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).