3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide

C17H23N5O2S2 — CID 86266435

IUPAC3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H23N5O2S2/c1-12(2)22-14(4)17(13(3)19-22)26(23,24)18-7-9-21-8-5-16(20-21)15-6-10-25-11-15/h5-6,8,10-12,18H,7,9H2,1-4H3
InChIKeyPSDWNYRFIKBIIQ-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.98
Rot. Bonds7

About 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide

3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 86266435) has the molecular formula C17H23N5O2S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID86266435
Molecular FormulaC17H23N5O2S2
Molecular Weight393.54 g/mol
Exact Mass393.13
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H23N5O2S2/c1-12(2)22-14(4)17(13(3)19-22)26(23,24)18-7-9-21-8-5-16(20-21)15-6-10-25-11-15/h5-6,8,10-12,18H,7,9H2,1-4H3
InChIKeyPSDWNYRFIKBIIQ-UHFFFAOYSA-N
XLogP2.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide (CID 86266435) is 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is PSDWNYRFIKBIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S2/c1-12(2)22-14(4)17(13(3)19-22)26(23,24)18-7-9-21-8-5-16(20-21)15-6-10-25-11-15/h5-6,8,10-12,18H,7,9H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 393.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 86266435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).