5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole

C12H14N2S — CID 90949106

IUPAC5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole
SMILESCCCC=Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-4-5-10-6-7-12(15-10)11-8-9-13-14-11/h4-9H,2-3H2,1H3,(H,13,14)
InChIKeyPTVLJDYGQSVWMN-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.95
Rot. Bonds4

About 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole

5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole (PubChem CID 90949106) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole
PubChem CID90949106
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole
SMILESCCCC=Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-4-5-10-6-7-12(15-10)11-8-9-13-14-11/h4-9H,2-3H2,1H3,(H,13,14)
InChIKeyPTVLJDYGQSVWMN-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole (CID 90949106) is 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole is CCCC=Cc1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole?
The InChIKey is PTVLJDYGQSVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-3-4-5-10-6-7-12(15-10)11-8-9-13-14-11/h4-9H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole?
5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole has a molecular weight of 218.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-pent-1-enylthiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 90949106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).