7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one

C19H15ClN4O2 — CID 56956509

IUPAC7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CC(c2ccc(Cl)cc2)=NNC3=O)cc1
InChIInChI=1S/C19H15ClN4O2/c1-26-15-8-4-12(5-9-15)16-10-18-19(25)22-21-17(11-24(18)23-16)13-2-6-14(20)7-3-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyGXSHFKKJVIVFBU-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.36
Rot. Bonds3

About 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one

7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one (PubChem CID 56956509) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one
PubChem CID56956509
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CC(c2ccc(Cl)cc2)=NNC3=O)cc1
InChIInChI=1S/C19H15ClN4O2/c1-26-15-8-4-12(5-9-15)16-10-18-19(25)22-21-17(11-24(18)23-16)13-2-6-14(20)7-3-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyGXSHFKKJVIVFBU-UHFFFAOYSA-N
XLogP3.36
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one with MolForge

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Related Compounds

5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one
CID 71457098
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366
2-(4-methoxyphenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589373
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
5,10,15,20-tetrakis(4-methoxyphenyl)-1,6,11,16,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-3(24),4,8(23),9,13(22),14,18(21),19-octaene
CID 15385570
6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 141127299
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one?
The IUPAC name of 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one (CID 56956509) is 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one is COc1ccc(-c2cc3n(n2)CC(c2ccc(Cl)cc2)=NNC3=O)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one?
The InChIKey is GXSHFKKJVIVFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-26-15-8-4-12(5-9-15)16-10-18-19(25)22-21-17(11-24(18)23-16)13-2-6-14(20)7-3-13/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one?
7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one has a molecular weight of 366.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one is sourced from PubChem (CID 56956509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).