5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C19H19N5O2S — CID 118711419

IUPAC5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(Sc2ccn3nc(C)c(-c4cnn(C)c4)c3n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-18(13-10-20-23(2)11-13)19-21-17(7-8-24(19)22-12)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3
InChIKeyKERYTLFANGWICP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.61
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 118711419) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID118711419
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(Sc2ccn3nc(C)c(-c4cnn(C)c4)c3n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-18(13-10-20-23(2)11-13)19-21-17(7-8-24(19)22-12)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3
InChIKeyKERYTLFANGWICP-UHFFFAOYSA-N
XLogP3.61
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 118711419) is 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(OC)c(Sc2ccn3nc(C)c(-c4cnn(C)c4)c3n2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KERYTLFANGWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-18(13-10-20-23(2)11-13)19-21-17(7-8-24(19)22-12)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 381.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118711419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).