8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline

C15H15N3 — CID 60982843

IUPAC8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
SMILESCc1cc(C)n(Cc2cccc3cccnc23)n1
InChIInChI=1S/C15H15N3/c1-11-9-12(2)18(17-11)10-14-6-3-5-13-7-4-8-16-15(13)14/h3-9H,10H2,1-2H3
InChIKeyDZWXDEJXOHEQGV-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.10
Rot. Bonds2

About 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline

8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline (PubChem CID 60982843) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
PubChem CID60982843
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
SMILESCc1cc(C)n(Cc2cccc3cccnc23)n1
InChIInChI=1S/C15H15N3/c1-11-9-12(2)18(17-11)10-14-6-3-5-13-7-4-8-16-15(13)14/h3-9H,10H2,1-2H3
InChIKeyDZWXDEJXOHEQGV-UHFFFAOYSA-N
XLogP3.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111278023
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 43818313
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline?
The IUPAC name of 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline (CID 60982843) is 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline is Cc1cc(C)n(Cc2cccc3cccnc23)n1.
What is the InChIKey of 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline?
The InChIKey is DZWXDEJXOHEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-9-12(2)18(17-11)10-14-6-3-5-13-7-4-8-16-15(13)14/h3-9H,10H2,1-2H3.
What are the key properties of 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline?
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline has a molecular weight of 237.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline is sourced from PubChem (CID 60982843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).