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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Related Compounds

N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100690917
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
3-(dimethylamino)-N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]benzamide
CID 126850446
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide
CID 126854740
N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 96524354
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46593202
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237

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).