7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C10H12IN3O2 — CID 137004248

IUPAC7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(O)c(C(C)C)c(=O)[nH]c2c1I
InChIInChI=1S/C10H12IN3O2/c1-4(2)6-9(15)12-8-7(11)5(3)13-14(8)10(6)16/h4,16H,1-3H3,(H,12,15)
InChIKeyYZDSTYKYFWMWFX-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.76
Rot. Bonds1

About 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004248) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137004248
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC Name7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(O)c(C(C)C)c(=O)[nH]c2c1I
InChIInChI=1S/C10H12IN3O2/c1-4(2)6-9(15)12-8-7(11)5(3)13-14(8)10(6)16/h4,16H,1-3H3,(H,12,15)
InChIKeyYZDSTYKYFWMWFX-UHFFFAOYSA-N
XLogP1.76
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004272
7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004252
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
7-methyl-5-oxo-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004064
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
CID 107851480
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 106422345
6-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
CID 25421254
3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
CID 106098930
6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 113494336
2-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613807
N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1073917

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137004248) is 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(O)c(C(C)C)c(=O)[nH]c2c1I.
What is the InChIKey of 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YZDSTYKYFWMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c1-4(2)6-9(15)12-8-7(11)5(3)13-14(8)10(6)16/h4,16H,1-3H3,(H,12,15).
What are the key properties of 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 333.13 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).