2-thiophen-2-yl-3,4-dihydropyrazole

C7H8N2S — CID 90759627

IUPAC2-thiophen-2-yl-3,4-dihydropyrazole
SMILESC1=NN(c2cccs2)CC1
InChIInChI=1S/C7H8N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1,3-4,6H,2,5H2
InChIKeyQHKGDXNDNSSFDS-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.94
Rot. Bonds1

About 2-thiophen-2-yl-3,4-dihydropyrazole

2-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 90759627) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID90759627
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-thiophen-2-yl-3,4-dihydropyrazole
SMILESC1=NN(c2cccs2)CC1
InChIInChI=1S/C7H8N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1,3-4,6H,2,5H2
InChIKeyQHKGDXNDNSSFDS-UHFFFAOYSA-N
XLogP1.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-thiophen-2-yl-3,4-dihydropyrazole (CID 90759627) is 2-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-thiophen-2-yl-3,4-dihydropyrazole is C1=NN(c2cccs2)CC1.
What is the InChIKey of 2-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is QHKGDXNDNSSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1,3-4,6H,2,5H2.
What are the key properties of 2-thiophen-2-yl-3,4-dihydropyrazole?
2-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 152.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 90759627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).