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

C10H12IN3O — CID 137004272

IUPAC3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C(C)C)cc(=O)[nH]c2c1I
InChIInChI=1S/C10H12IN3O/c1-5(2)7-4-8(15)12-10-9(11)6(3)13-14(7)10/h4-5H,1-3H3,(H,12,15)
InChIKeyPIZACLOMYPNHFG-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.06
Rot. Bonds1

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

3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004272) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137004272
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C(C)C)cc(=O)[nH]c2c1I
InChIInChI=1S/C10H12IN3O/c1-5(2)7-4-8(15)12-10-9(11)6(3)13-14(7)10/h4-5H,1-3H3,(H,12,15)
InChIKeyPIZACLOMYPNHFG-UHFFFAOYSA-N
XLogP2.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004252
3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224847
7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004248
N-methyl-5-oxo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171809141
sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 158965960
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136624133
4-(chloromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562164
ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686047
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
CID 158000206
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137004182

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137004272) is 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C(C)C)cc(=O)[nH]c2c1I.
What is the InChIKey of 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PIZACLOMYPNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c1-5(2)7-4-8(15)12-10-9(11)6(3)13-14(7)10/h4-5H,1-3H3,(H,12,15).
What are the key properties of 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 317.13 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).