4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole

C12H14N2S — CID 123860533

IUPAC4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole
SMILESCCC=C(C)c1ccc(-c2cn[nH]c2)s1
InChIInChI=1S/C12H14N2S/c1-3-4-9(2)11-5-6-12(15-11)10-7-13-14-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyJUYFBHDAZQMFRQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.95
Rot. Bonds3

About 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole

4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole (PubChem CID 123860533) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole
PubChem CID123860533
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole
SMILESCCC=C(C)c1ccc(-c2cn[nH]c2)s1
InChIInChI=1S/C12H14N2S/c1-3-4-9(2)11-5-6-12(15-11)10-7-13-14-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyJUYFBHDAZQMFRQ-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyto6G4
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US10807974, Example 127
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CID 818922
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
n-((3-(Thiophen-2-yl)-1h-pyrazol-4-yl)methyl)propan-1-amine
CID 25479412
1-cyclopropyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 37798213
2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine
CID 43233188

Frequently Asked Questions

What is the IUPAC name of 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole?
The IUPAC name of 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole (CID 123860533) is 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole is CCC=C(C)c1ccc(-c2cn[nH]c2)s1.
What is the InChIKey of 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole?
The InChIKey is JUYFBHDAZQMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-4-9(2)11-5-6-12(15-11)10-7-13-14-8-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole?
4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole has a molecular weight of 218.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pent-2-en-2-ylthiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 123860533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).