3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole

C15H14N2O2S — CID 129400192

IUPAC3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole
SMILESCc1occc1[S@@](=O)Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O2S/c1-12-15(8-10-19-12)20(18)11-13-7-9-17(16-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t20-/m0/s1
InChIKeyJTHSDMVPKOOSQC-FQEVSTJZSA-N
MW286.36 g/mol
LogP3.08
Rot. Bonds4

About 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole

3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole (PubChem CID 129400192) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole
PubChem CID129400192
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole
SMILESCc1occc1[S@@](=O)Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O2S/c1-12-15(8-10-19-12)20(18)11-13-7-9-17(16-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t20-/m0/s1
InChIKeyJTHSDMVPKOOSQC-FQEVSTJZSA-N
XLogP3.08
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole?
The IUPAC name of 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole (CID 129400192) is 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole.
What is the SMILES notation for 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole?
The canonical SMILES for 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole is Cc1occc1[S@@](=O)Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole?
The InChIKey is JTHSDMVPKOOSQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-12-15(8-10-19-12)20(18)11-13-7-9-17(16-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t20-/m0/s1.
What are the key properties of 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole?
3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole has a molecular weight of 286.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole is sourced from PubChem (CID 129400192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).