5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one

C19H21N3O — CID 155577582

IUPAC5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one
SMILESO=C1CC(CC2CCCCC2)=NN1c1cccc2cnccc12
InChIInChI=1S/C19H21N3O/c23-19-12-16(11-14-5-2-1-3-6-14)21-22(19)18-8-4-7-15-13-20-10-9-17(15)18/h4,7-10,13-14H,1-3,5-6,11-12H2
InChIKeyUZXPZXYVPZPZDP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.30
Rot. Bonds3

About 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one

5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one (PubChem CID 155577582) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one
PubChem CID155577582
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one
SMILESO=C1CC(CC2CCCCC2)=NN1c1cccc2cnccc12
InChIInChI=1S/C19H21N3O/c23-19-12-16(11-14-5-2-1-3-6-14)21-22(19)18-8-4-7-15-13-20-10-9-17(15)18/h4,7-10,13-14H,1-3,5-6,11-12H2
InChIKeyUZXPZXYVPZPZDP-UHFFFAOYSA-N
XLogP4.30
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrrolidin-1-ylisoquinoline
CID 82582558
3-cyclohexyl-1-isoquinolin-5-ylpropan-1-one
CID 114970896
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
5-[4-(piperidin-3-ylmethyl)triazol-1-yl]isoquinoline
CID 146107072
2-isoquinolin-5-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923607
4-ethynyl-1-isoquinolin-5-ylpyrrolidin-2-one
CID 168502618
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
(3aR,7R,7aS)-2-isoquinolin-5-yl-4,7-dimethyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 173121595
methyl 1-isoquinolin-5-ylazetidine-2-carboxylate
CID 112581219
5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
5-(5-cyclopropylpyrazol-1-yl)isoquinoline
CID 139907312
4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
CID 168700186

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one?
The IUPAC name of 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one (CID 155577582) is 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one is O=C1CC(CC2CCCCC2)=NN1c1cccc2cnccc12.
What is the InChIKey of 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one?
The InChIKey is UZXPZXYVPZPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19-12-16(11-14-5-2-1-3-6-14)21-22(19)18-8-4-7-15-13-20-10-9-17(15)18/h4,7-10,13-14H,1-3,5-6,11-12H2.
What are the key properties of 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one?
5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one has a molecular weight of 307.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-isoquinolin-5-yl-4H-pyrazol-3-one is sourced from PubChem (CID 155577582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).