N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide

C13H18N4OS — CID 94021120

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C)[C@@H](CNC(=O)Cn1cccn1)c1ccsc1
InChIInChI=1S/C13H18N4OS/c1-16(2)12(11-4-7-19-10-11)8-14-13(18)9-17-6-3-5-15-17/h3-7,10,12H,8-9H2,1-2H3,(H,14,18)/t12-/m0/s1
InChIKeyAWZRPHYZOWCHNG-LBPRGKRZSA-N
MW278.38 g/mol
LogP1.36
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide (PubChem CID 94021120) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
PubChem CID94021120
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C)[C@@H](CNC(=O)Cn1cccn1)c1ccsc1
InChIInChI=1S/C13H18N4OS/c1-16(2)12(11-4-7-19-10-11)8-14-13(18)9-17-6-3-5-15-17/h3-7,10,12H,8-9H2,1-2H3,(H,14,18)/t12-/m0/s1
InChIKeyAWZRPHYZOWCHNG-LBPRGKRZSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide
CID 125446228
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
CID 94173335
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 32631997
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 32634833
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30856713
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 32634277
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide (CID 94021120) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide is CN(C)[C@@H](CNC(=O)Cn1cccn1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is AWZRPHYZOWCHNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(2)12(11-4-7-19-10-11)8-14-13(18)9-17-6-3-5-15-17/h3-7,10,12H,8-9H2,1-2H3,(H,14,18)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 94021120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).