6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

C13H22N4 — CID 82866010

IUPAC6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCn1ccc(CN2CCC3NCCCC3C2)n1
InChIInChI=1S/C13H22N4/c1-16-7-4-12(15-16)10-17-8-5-13-11(9-17)3-2-6-14-13/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyKMBHVIMRVIRLKX-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.99
Rot. Bonds2

About 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (PubChem CID 82866010) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
PubChem CID82866010
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCn1ccc(CN2CCC3NCCCC3C2)n1
InChIInChI=1S/C13H22N4/c1-16-7-4-12(15-16)10-17-8-5-13-11(9-17)3-2-6-14-13/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyKMBHVIMRVIRLKX-UHFFFAOYSA-N
XLogP0.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine with MolForge

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Related Compounds

N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870499
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725
(4aR,8aS)-6-[(2-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;acetic acid
CID 155972584
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 60979385
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The IUPAC name of 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (CID 82866010) is 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.
What is the SMILES notation for 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The canonical SMILES for 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is Cn1ccc(CN2CCC3NCCCC3C2)n1.
What is the InChIKey of 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The InChIKey is KMBHVIMRVIRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-7-4-12(15-16)10-17-8-5-13-11(9-17)3-2-6-14-13/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3.
What are the key properties of 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine has a molecular weight of 234.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is sourced from PubChem (CID 82866010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).