6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline

C23H21N3 — CID 118665751

IUPAC6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
SMILESCc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C3CC3)ccc12
InChIInChI=1S/C23H21N3/c1-15-21-10-9-19(16-3-4-16)11-22(21)23(13-24-15)18-7-5-17(6-8-18)20-12-25-26(2)14-20/h5-14,16H,3-4H2,1-2H3
InChIKeyFJBKLWBFAXQUFS-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.49
Rot. Bonds3

About 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline

6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline (PubChem CID 118665751) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
PubChem CID118665751
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
SMILESCc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C3CC3)ccc12
InChIInChI=1S/C23H21N3/c1-15-21-10-9-19(16-3-4-16)11-22(21)23(13-24-15)18-7-5-17(6-8-18)20-12-25-26(2)14-20/h5-14,16H,3-4H2,1-2H3
InChIKeyFJBKLWBFAXQUFS-UHFFFAOYSA-N
XLogP5.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one
CID 118660707
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-(azetidin-1-yl)methanone
CID 118660637
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
CID 155277374
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 69052567
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
CID 135249546

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The IUPAC name of 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline (CID 118665751) is 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline.
What is the SMILES notation for 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The canonical SMILES for 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline is Cc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C3CC3)ccc12.
What is the InChIKey of 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The InChIKey is FJBKLWBFAXQUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-15-21-10-9-19(16-3-4-16)11-22(21)23(13-24-15)18-7-5-17(6-8-18)20-12-25-26(2)14-20/h5-14,16H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline has a molecular weight of 339.44 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline is sourced from PubChem (CID 118665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).