5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C11H7Cl2N3S — CID 82274615

IUPAC5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2c(-c3cccs3)cnn2c1Cl
InChIInChI=1S/C11H7Cl2N3S/c1-6-9(12)15-11-7(8-3-2-4-17-8)5-14-16(11)10(6)13/h2-5H,1H3
InChIKeySCTLMSCDFKKHJN-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.07
Rot. Bonds1

About 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274615) has the molecular formula C11H7Cl2N3S and a molecular weight of 284.17 g/mol. Its IUPAC name is 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82274615
Molecular FormulaC11H7Cl2N3S
Molecular Weight284.17 g/mol
Exact Mass282.97
IUPAC Name5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2c(-c3cccs3)cnn2c1Cl
InChIInChI=1S/C11H7Cl2N3S/c1-6-9(12)15-11-7(8-3-2-4-17-8)5-14-16(11)10(6)13/h2-5H,1H3
InChIKeySCTLMSCDFKKHJN-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 3778176
12-chloro-4-propan-2-yl-11-thiophen-2-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 58034697
3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 21035736
N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662540
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
2-chloro-3-methyl-5-thiophen-2-ylpyridine
CID 83814921
CID 67822914
CID 67822914
2-(2,4-dimethylphenyl)thiophene
CID 12781163
1,2,7-trimethyl-6-thiophen-2-ylpyrrolo[3,2-b]pyridine
CID 11608431
5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334586
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 82274615) is 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2c(-c3cccs3)cnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SCTLMSCDFKKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3S/c1-6-9(12)15-11-7(8-3-2-4-17-8)5-14-16(11)10(6)13/h2-5H,1H3.
What are the key properties of 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 284.17 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).