3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 106779930

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(CC2CNc3ccccc3C2)n(C)n1
InChIInChI=1S/C15H19N3/c1-11-7-14(18(2)17-11)9-12-8-13-5-3-4-6-15(13)16-10-12/h3-7,12,16H,8-10H2,1-2H3
InChIKeySFFJUPJPRCESKP-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.56
Rot. Bonds2

About 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106779930) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106779930
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(CC2CNc3ccccc3C2)n(C)n1
InChIInChI=1S/C15H19N3/c1-11-7-14(18(2)17-11)9-12-8-13-5-3-4-6-15(13)16-10-12/h3-7,12,16H,8-10H2,1-2H3
InChIKeySFFJUPJPRCESKP-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779859
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106778836

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106779930) is 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(CC2CNc3ccccc3C2)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SFFJUPJPRCESKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-14(18(2)17-11)9-12-8-13-5-3-4-6-15(13)16-10-12/h3-7,12,16H,8-10H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).