N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide

C13H18N4OS — CID 49092892

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCn1cc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C13H18N4OS/c1-16(2)5-6-17-10-11(9-14-17)15-13(18)8-12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyJDQNQHPOZWNHCB-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.69
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 49092892) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID49092892
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCn1cc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C13H18N4OS/c1-16(2)5-6-17-10-11(9-14-17)15-13(18)8-12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyJDQNQHPOZWNHCB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794
4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118433017
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118433132
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118433159
US10968213, Example 89
CID 153440063
US10968213, Example 90
CID 156907540
1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
N-(1-methylpyrazol-4-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 32608156
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 49092892) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide is CN(C)CCn1cc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is JDQNQHPOZWNHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(2)5-6-17-10-11(9-14-17)15-13(18)8-12-4-3-7-19-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 49092892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).