7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine

C13H11N3S — CID 110205617

IUPAC7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCSc1ccc(-c2ccnc3ccnn23)cc1
InChIInChI=1S/C13H11N3S/c1-17-11-4-2-10(3-5-11)12-6-8-14-13-7-9-15-16(12)13/h2-9H,1H3
InChIKeyDXYAJWIKEWJFIB-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.12
Rot. Bonds2

About 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine

7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110205617) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID110205617
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCSc1ccc(-c2ccnc3ccnn23)cc1
InChIInChI=1S/C13H11N3S/c1-17-11-4-2-10(3-5-11)12-6-8-14-13-7-9-15-16(12)13/h2-9H,1H3
InChIKeyDXYAJWIKEWJFIB-UHFFFAOYSA-N
XLogP3.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrazolo[1,5-a]pyrimidin-7-ylnaphthalen-2-ol
CID 166336559
7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 39312494
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 142675794
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
7-methylsulfanylpyrazolo[1,5-c]pyrimidine
CID 150653420
(2S)-2,4-dimethyl-1-[4-pyrazolo[1,5-a]pyrimidin-7-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137459404
4-ethylpyrazolo[1,5-a][1,3,5]triazine
CID 154468252
7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 168654914
2-(4-methylsulfanylphenyl)triazole
CID 174912243
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine (CID 110205617) is 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine is CSc1ccc(-c2ccnc3ccnn23)cc1.
What is the InChIKey of 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DXYAJWIKEWJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-17-11-4-2-10(3-5-11)12-6-8-14-13-7-9-15-16(12)13/h2-9H,1H3.
What are the key properties of 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine?
7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 241.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110205617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).