5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one

C18H16N4O2 — CID 46231476

IUPAC5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)CNC4=O)c(N)n2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-14-5-3-13(4-6-14)22-10-16(17(19)21-22)11-2-7-15-12(8-11)9-20-18(15)23/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,23)
InChIKeyWMSFWSYGCTUSCV-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.37
Rot. Bonds3

About 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one

5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one (PubChem CID 46231476) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one
PubChem CID46231476
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-n2cc(-c3ccc4c(c3)CNC4=O)c(N)n2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-14-5-3-13(4-6-14)22-10-16(17(19)21-22)11-2-7-15-12(8-11)9-20-18(15)23/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,23)
InChIKeyWMSFWSYGCTUSCV-UHFFFAOYSA-N
XLogP2.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
CID 46231477
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-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
4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 46231473
8-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CID 46231531
4-(5-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 15366651
4-(1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 46231423
1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 155547454
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-propan-2-ylindazole-4-carboxamide
CID 168278983
N-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(trifluoromethyl)benzamide
CID 89589207

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one (CID 46231476) is 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one is COc1ccc(-n2cc(-c3ccc4c(c3)CNC4=O)c(N)n2)cc1.
What is the InChIKey of 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is WMSFWSYGCTUSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-14-5-3-13(4-6-14)22-10-16(17(19)21-22)11-2-7-15-12(8-11)9-20-18(15)23/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one?
5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 320.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 46231476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).