(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

C14H15N3O — CID 116573312

IUPAC(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCn1cc(C(=O)C2CNCc3ccccc32)cn1
InChIInChI=1S/C14H15N3O/c1-17-9-11(7-16-17)14(18)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3
InChIKeyVIJILWOZHLTCEB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.49
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 116573312) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID116573312
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCn1cc(C(=O)C2CNCc3ccccc32)cn1
InChIInChI=1S/C14H15N3O/c1-17-9-11(7-16-17)14(18)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3
InChIKeyVIJILWOZHLTCEB-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 103133164
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
pyrimidin-5-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573335
N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 102805529
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 116573312) is (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is Cn1cc(C(=O)C2CNCc3ccccc32)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is VIJILWOZHLTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-9-11(7-16-17)14(18)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 116573312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).