3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride

C8H10ClF3N2O3S — CID 122170369

IUPAC3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O3S/c1-17-5-6-7(18(9,15)16)4-14(13-6)3-2-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyTWMHURCMRCHHKF-UHFFFAOYSA-N
MW306.69 g/mol
LogP1.91
Rot. Bonds5

About 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride

3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170369) has the molecular formula C8H10ClF3N2O3S and a molecular weight of 306.69 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride
PubChem CID122170369
Molecular FormulaC8H10ClF3N2O3S
Molecular Weight306.69 g/mol
Exact Mass306.01
IUPAC Name3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O3S/c1-17-5-6-7(18(9,15)16)4-14(13-6)3-2-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyTWMHURCMRCHHKF-UHFFFAOYSA-N
XLogP1.91
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.69
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride (CID 122170369) is 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride is COCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride?
The InChIKey is TWMHURCMRCHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O3S/c1-17-5-6-7(18(9,15)16)4-14(13-6)3-2-8(10,11)12/h4H,2-3,5H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride?
3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride has a molecular weight of 306.69 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).