4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C18H19N5O2 — CID 53369444

IUPAC4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-10(2)23-17-15(18(25)22-23)12(8-14(24)20-17)13-9-19-21-16(13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,19,21)(H,20,24)(H,22,25)
InChIKeySSIFKXAEKBCKFP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.62
Rot. Bonds3

About 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53369444) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53369444
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-10(2)23-17-15(18(25)22-23)12(8-14(24)20-17)13-9-19-21-16(13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,19,21)(H,20,24)(H,22,25)
InChIKeySSIFKXAEKBCKFP-UHFFFAOYSA-N
XLogP2.62
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53369444) is 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is SSIFKXAEKBCKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10(2)23-17-15(18(25)22-23)12(8-14(24)20-17)13-9-19-21-16(13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,19,21)(H,20,24)(H,22,25).
What are the key properties of 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 337.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53369444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).