8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

C15H19N3 — CID 103144129

IUPAC8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCn1cc(-c2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H19N3/c1-2-8-18-11-13(9-17-18)14-5-3-4-12-6-7-16-10-15(12)14/h3-5,9,11,16H,2,6-8,10H2,1H3
InChIKeySQUWVXBWRBJSRC-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.61
Rot. Bonds3

About 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 103144129) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID103144129
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCn1cc(-c2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H19N3/c1-2-8-18-11-13(9-17-18)14-5-3-4-12-6-7-16-10-15(12)14/h3-5,9,11,16H,2,6-8,10H2,1H3
InChIKeySQUWVXBWRBJSRC-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 81224329
8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114197799
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 103572684
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
5-(1-butylpyrazol-4-yl)naphthalen-1-amine
CID 172677743
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489176
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
CID 66474868
4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
CID 172915447
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314

Frequently Asked Questions

What is the IUPAC name of 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline (CID 103144129) is 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline is CCCn1cc(-c2cccc3c2CNCC3)cn1.
What is the InChIKey of 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SQUWVXBWRBJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-8-18-11-13(9-17-18)14-5-3-4-12-6-7-16-10-15(12)14/h3-5,9,11,16H,2,6-8,10H2,1H3.
What are the key properties of 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 103144129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).