7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

C19H18N4O2 — CID 46231477

IUPAC7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-6-4-14(5-7-15)23-11-17(18(20)22-23)13-3-2-12-8-9-21-19(24)16(12)10-13/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,24)
InChIKeyZBIFKWQZJMJWRU-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds3

About 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 46231477) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID46231477
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-6-4-14(5-7-15)23-11-17(18(20)22-23)13-3-2-12-8-9-21-19(24)16(12)10-13/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,24)
InChIKeyZBIFKWQZJMJWRU-UHFFFAOYSA-N
XLogP2.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(2-methoxyphenyl)-4-methylbenzamide
CID 155515039
3-((2-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 155547382
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 164617289
2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10661229
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
CID 46231532
6-[3-amino-1-[3-(3-hydroxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 46231533
6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 46231534
N-(4-methoxyphenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71624905
2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
CID 135405767
4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 46231473

Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 46231477) is 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1.
What is the InChIKey of 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is ZBIFKWQZJMJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-15-6-4-14(5-7-15)23-11-17(18(20)22-23)13-3-2-12-8-9-21-19(24)16(12)10-13/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,24).
What are the key properties of 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 334.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 46231477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).