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

C17H19N3O3S — CID 100688805

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC[C@@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c1-11-15(12(2)20(3)19-11)16(21)18-10-17(22,13-6-4-8-23-13)14-7-5-9-24-14/h4-9,22H,10H2,1-3H3,(H,18,21)/t17-/m1/s1
InChIKeyCNFYHMUSNYKGCZ-QGZVFWFLSA-N
MW345.42 g/mol
LogP2.36
Rot. Bonds5

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

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 100688805) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID100688805
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC[C@@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c1-11-15(12(2)20(3)19-11)16(21)18-10-17(22,13-6-4-8-23-13)14-7-5-9-24-14/h4-9,22H,10H2,1-3H3,(H,18,21)/t17-/m1/s1
InChIKeyCNFYHMUSNYKGCZ-QGZVFWFLSA-N
XLogP2.36
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 91816672
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 131701979
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 100688861
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 100688805) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC[C@@](O)(c1ccco1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CNFYHMUSNYKGCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-15(12(2)20(3)19-11)16(21)18-10-17(22,13-6-4-8-23-13)14-7-5-9-24-14/h4-9,22H,10H2,1-3H3,(H,18,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 100688805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).