7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline

C18H17N3 — CID 56722647

IUPAC7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc(-c3ccc4c(c3)CNCC4)cc2)[nH]n1
InChIInChI=1S/C18H17N3/c1-4-15(18-8-10-20-21-18)5-2-13(1)16-6-3-14-7-9-19-12-17(14)11-16/h1-6,8,10-11,19H,7,9,12H2,(H,20,21)
InChIKeyGKTSMDYVWWQEOY-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.39
Rot. Bonds2

About 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline

7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56722647) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID56722647
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc(-c3ccc4c(c3)CNCC4)cc2)[nH]n1
InChIInChI=1S/C18H17N3/c1-4-15(18-8-10-20-21-18)5-2-13(1)16-6-3-14-7-9-19-12-17(14)11-16/h1-6,8,10-11,19H,7,9,12H2,(H,20,21)
InChIKeyGKTSMDYVWWQEOY-UHFFFAOYSA-N
XLogP3.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydryl-1H-pyrazole
CID 2806015
3-(naphthalen-1-yl)-1H-pyrazole
CID 2737035
4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
CID 11738219
2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11687579
GABAA receptor agent 2
CID 46204221
4-[1-Hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine
CID 46204227
4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995479
(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine
CID 10537192
(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10659359
1-Benzyl-4-(5-benzyl-1H-pyrazol-3-yl)-piperidine
CID 10687967

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline (CID 56722647) is 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline is c1cc(-c2ccc(-c3ccc4c(c3)CNCC4)cc2)[nH]n1.
What is the InChIKey of 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GKTSMDYVWWQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-4-15(18-8-10-20-21-18)5-2-13(1)16-6-3-14-7-9-19-12-17(14)11-16/h1-6,8,10-11,19H,7,9,12H2,(H,20,21).
What are the key properties of 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 275.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56722647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).