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

C14H13N3 — CID 737207

IUPAC5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H13N3/c1-10-8-11(2)17-14(15-10)9-13(16-17)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyAZWWKRAUFGDLEV-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.01
Rot. Bonds1

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

5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 737207) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID737207
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H13N3/c1-10-8-11(2)17-14(15-10)9-13(16-17)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyAZWWKRAUFGDLEV-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
(R)-Zinc-3573
CID 95882507
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3MB-PP1
CID 24865390
Dsm-74
CID 25263414
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine (CID 737207) is 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AZWWKRAUFGDLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-8-11(2)17-14(15-10)9-13(16-17)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 737207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).