3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone

C19H17N3O — CID 2813862

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17N3O/c23-19(21-13-10-15-4-1-2-5-17(15)14-21)16-6-8-18(9-7-16)22-12-3-11-20-22/h1-9,11-12H,10,13-14H2
InChIKeyHDZIGDDZUGMXSB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 2813862) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone
PubChem CID2813862
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17N3O/c23-19(21-13-10-15-4-1-2-5-17(15)14-21)16-6-8-18(9-7-16)22-12-3-11-20-22/h1-9,11-12H,10,13-14H2
InChIKeyHDZIGDDZUGMXSB-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CID 4962866
4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10731097
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
2-Phenyl-5-propyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10804397
5-Methyl-2-phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10826247
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 25122009
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
CID 56675668
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone (CID 2813862) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is HDZIGDDZUGMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(21-13-10-15-4-1-2-5-17(15)14-21)16-6-8-18(9-7-16)22-12-3-11-20-22/h1-9,11-12H,10,13-14H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 2813862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).