2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide

C15H22N4OS — CID 56781060

IUPAC2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1cnn(CCNC(C)C(=O)NCCc2cccs2)c1
InChIInChI=1S/C15H22N4OS/c1-12-10-18-19(11-12)8-7-16-13(2)15(20)17-6-5-14-4-3-9-21-14/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20)
InChIKeyXJUINPVMFVHMDN-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.59
Rot. Bonds8

About 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide

2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 56781060) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID56781060
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1cnn(CCNC(C)C(=O)NCCc2cccs2)c1
InChIInChI=1S/C15H22N4OS/c1-12-10-18-19(11-12)8-7-16-13(2)15(20)17-6-5-14-4-3-9-21-14/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20)
InChIKeyXJUINPVMFVHMDN-UHFFFAOYSA-N
XLogP1.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5307450
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 45810582
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
3-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 45815352
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-pyrazol-1-ylpropanamide
CID 45815353
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45818631
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide (CID 56781060) is 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide is Cc1cnn(CCNC(C)C(=O)NCCc2cccs2)c1.
What is the InChIKey of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is XJUINPVMFVHMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12-10-18-19(11-12)8-7-16-13(2)15(20)17-6-5-14-4-3-9-21-14/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide?
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 306.44 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 56781060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).