3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine

C14H12IN3 — CID 86012669

IUPAC3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2nc(C)c(I)c2n1
InChIInChI=1S/C14H12IN3/c1-9-8-12(11-6-4-3-5-7-11)18-14(16-9)13(15)10(2)17-18/h3-8H,1-2H3
InChIKeyWHMUNSQUPLLPGQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.62
Rot. Bonds1

About 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine

3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 86012669) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID86012669
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Name3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2nc(C)c(I)c2n1
InChIInChI=1S/C14H12IN3/c1-9-8-12(11-6-4-3-5-7-11)18-14(16-9)13(15)10(2)17-18/h3-8H,1-2H3
InChIKeyWHMUNSQUPLLPGQ-UHFFFAOYSA-N
XLogP3.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
(3-chloro-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl) benzoate
CID 21231826
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1079878
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807
methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
CID 101352935
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine (CID 86012669) is 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccccc2)n2nc(C)c(I)c2n1.
What is the InChIKey of 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WHMUNSQUPLLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c1-9-8-12(11-6-4-3-5-7-11)18-14(16-9)13(15)10(2)17-18/h3-8H,1-2H3.
What are the key properties of 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 349.18 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86012669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).