N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide

C17H23N3O2S — CID 97153924

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@H]2CCCO2)s1
InChIInChI=1S/C17H23N3O2S/c1-11-13(12(2)19-18-11)8-9-20(3)17(21)16-7-6-15(23-16)14-5-4-10-22-14/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyARIZICUVCAEXHT-CQSZACIVSA-N
MW333.46 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide (PubChem CID 97153924) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
PubChem CID97153924
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@H]2CCCO2)s1
InChIInChI=1S/C17H23N3O2S/c1-11-13(12(2)19-18-11)8-9-20(3)17(21)16-7-6-15(23-16)14-5-4-10-22-14/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyARIZICUVCAEXHT-CQSZACIVSA-N
XLogP3.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide (CID 97153924) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@H]2CCCO2)s1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The InChIKey is ARIZICUVCAEXHT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-13(12(2)19-18-11)8-9-20(3)17(21)16-7-6-15(23-16)14-5-4-10-22-14/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97153924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).