methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate

C11H13N3O2S — CID 122265033

IUPACmethyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
SMILESCOC(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C11H13N3O2S/c1-16-11(15)12-8-9(10-4-2-7-17-10)14-6-3-5-13-14/h2-7,9H,8H2,1H3,(H,12,15)
InChIKeyJDXUIUUWNKISAM-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.89
Rot. Bonds4

About methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate (PubChem CID 122265033) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
PubChem CID122265033
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
SMILESCOC(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C11H13N3O2S/c1-16-11(15)12-8-9(10-4-2-7-17-10)14-6-3-5-13-14/h2-7,9H,8H2,1H3,(H,12,15)
InChIKeyJDXUIUUWNKISAM-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 119102039

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate?
The IUPAC name of methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate (CID 122265033) is methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate is COC(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate?
The InChIKey is JDXUIUUWNKISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-11(15)12-8-9(10-4-2-7-17-10)14-6-3-5-13-14/h2-7,9H,8H2,1H3,(H,12,15).
What are the key properties of methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate?
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate has a molecular weight of 251.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 122265033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).