3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H17ClN4O2S2 — CID 70895353

IUPAC3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(c1S(=O)(=O)c1cccc(Cl)c1)N=C(c1cccnc1)CC2C
InChIInChI=1S/C19H17ClN4O2S2/c1-12-9-16(13-5-4-8-21-11-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-7-3-6-14(20)10-15/h3-8,10-12H,9H2,1-2H3
InChIKeyBHOZFYKSHVITQE-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.57
Rot. Bonds4

About 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 70895353) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID70895353
Molecular FormulaC19H17ClN4O2S2
Molecular Weight432.96 g/mol
Exact Mass432.05
IUPAC Name3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(c1S(=O)(=O)c1cccc(Cl)c1)N=C(c1cccnc1)CC2C
InChIInChI=1S/C19H17ClN4O2S2/c1-12-9-16(13-5-4-8-21-11-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-7-3-6-14(20)10-15/h3-8,10-12H,9H2,1-2H3
InChIKeyBHOZFYKSHVITQE-UHFFFAOYSA-N
XLogP4.57
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 70895353) is 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is CSc1nn2c(c1S(=O)(=O)c1cccc(Cl)c1)N=C(c1cccnc1)CC2C.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BHOZFYKSHVITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c1-12-9-16(13-5-4-8-21-11-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-7-3-6-14(20)10-15/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 432.96 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70895353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).