N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide

C17H19N3O2S — CID 131701979

IUPACN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(c1ccsc1)c1ccco1
InChIInChI=1S/C17H19N3O2S/c1-11-16(12(2)20(3)19-11)17(21)18-9-14(13-6-8-23-10-13)15-5-4-7-22-15/h4-8,10,14H,9H2,1-3H3,(H,18,21)
InChIKeyHXWWAYDVEXAGMM-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 131701979) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID131701979
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(c1ccsc1)c1ccco1
InChIInChI=1S/C17H19N3O2S/c1-11-16(12(2)20(3)19-11)17(21)18-9-14(13-6-8-23-10-13)15-5-4-7-22-15/h4-8,10,14H,9H2,1-3H3,(H,18,21)
InChIKeyHXWWAYDVEXAGMM-UHFFFAOYSA-N
XLogP3.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 131701979) is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC(c1ccsc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is HXWWAYDVEXAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-16(12(2)20(3)19-11)17(21)18-9-14(13-6-8-23-10-13)15-5-4-7-22-15/h4-8,10,14H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 131701979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).