5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole

C12H10N2S2 — CID 141117900

IUPAC5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
SMILESc1csc(Cc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C12H10N2S2/c1-3-10(15-5-1)7-9-8-13-14-12(9)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14)
InChIKeyYBISLYYMPJIMQC-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.79
Rot. Bonds3

About 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole

5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole (PubChem CID 141117900) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
PubChem CID141117900
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
SMILESc1csc(Cc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C12H10N2S2/c1-3-10(15-5-1)7-9-8-13-14-12(9)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14)
InChIKeyYBISLYYMPJIMQC-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
CID 39096230
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole?
The IUPAC name of 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole (CID 141117900) is 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole?
The canonical SMILES for 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole is c1csc(Cc2cn[nH]c2-c2cccs2)c1.
What is the InChIKey of 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole?
The InChIKey is YBISLYYMPJIMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-3-10(15-5-1)7-9-8-13-14-12(9)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14).
What are the key properties of 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole?
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole has a molecular weight of 246.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 141117900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).