[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol

C10H15ClN2O3S — CID 60923733

IUPAC[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C2(C)CCS(=O)(=O)C2)c(Cl)c1CO
InChIInChI=1S/C10H15ClN2O3S/c1-7-8(5-14)9(11)13(12-7)10(2)3-4-17(15,16)6-10/h14H,3-6H2,1-2H3
InChIKeyAZLNJFBDTNOGGD-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.87
Rot. Bonds2

About [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol

[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol (PubChem CID 60923733) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol
PubChem CID60923733
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C2(C)CCS(=O)(=O)C2)c(Cl)c1CO
InChIInChI=1S/C10H15ClN2O3S/c1-7-8(5-14)9(11)13(12-7)10(2)3-4-17(15,16)6-10/h14H,3-6H2,1-2H3
InChIKeyAZLNJFBDTNOGGD-UHFFFAOYSA-N
XLogP0.87
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol (CID 60923733) is [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol is Cc1nn(C2(C)CCS(=O)(=O)C2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol?
The InChIKey is AZLNJFBDTNOGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7-8(5-14)9(11)13(12-7)10(2)3-4-17(15,16)6-10/h14H,3-6H2,1-2H3.
What are the key properties of [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol?
[5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol has a molecular weight of 278.76 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 60923733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).