N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide

C15H15N3OS2 — CID 71797382

IUPACN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1nc(CNC(=O)Cc2cccs2)cc1-c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-18-13(14-5-3-7-21-14)8-11(17-18)10-16-15(19)9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19)
InChIKeyZXGUVEUWRQOASB-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.07
Rot. Bonds5

About N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 71797382) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID71797382
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1nc(CNC(=O)Cc2cccs2)cc1-c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-18-13(14-5-3-7-21-14)8-11(17-18)10-16-15(19)9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19)
InChIKeyZXGUVEUWRQOASB-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 3797050
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 867032
N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}thiophene-2-carboxamide
CID 2225442
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53623143
N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxamide
CID 70765721

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 71797382) is N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is Cn1nc(CNC(=O)Cc2cccs2)cc1-c1cccs1.
What is the InChIKey of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZXGUVEUWRQOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-18-13(14-5-3-7-21-14)8-11(17-18)10-16-15(19)9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19).
What are the key properties of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 317.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71797382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).