3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one

C18H15N3O — CID 12515068

IUPAC3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1NC(c2ccccc2)Cc2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C18H15N3O/c22-18-17-14(11-15(19-18)12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,22)(H,20,21)
InChIKeyBBRKJEDNBGYESR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.10
Rot. Bonds2

About 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one

3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 12515068) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one
PubChem CID12515068
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1NC(c2ccccc2)Cc2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C18H15N3O/c22-18-17-14(11-15(19-18)12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,22)(H,20,21)
InChIKeyBBRKJEDNBGYESR-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4068850
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 11103469
formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 90836953
3,4-diphenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855100
3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 5303728
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
5-cyclohexyl-4-(4-methylsulfanylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855317
3,7-diphenyl-7,8-dihydro-2H-pyrazolo[3,4-d][1,3]thiazepin-4-one
CID 155806843
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
4-(3-bromophenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855650

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one (CID 12515068) is 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one is O=C1NC(c2ccccc2)Cc2c(-c3ccccc3)n[nH]c21.
What is the InChIKey of 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is BBRKJEDNBGYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-17-14(11-15(19-18)12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,22)(H,20,21).
What are the key properties of 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one?
3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 289.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 12515068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).