5-(3-chlorothiophen-2-yl)-1H-pyrazole

C7H5ClN2S — CID 1484051

IUPAC5-(3-chlorothiophen-2-yl)-1H-pyrazole
SMILESClc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C7H5ClN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
InChIKeyHWXAHRPTUBINPQ-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.79
Rot. Bonds1

About 5-(3-chlorothiophen-2-yl)-1H-pyrazole

5-(3-chlorothiophen-2-yl)-1H-pyrazole (PubChem CID 1484051) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-1H-pyrazole
PubChem CID1484051
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name5-(3-chlorothiophen-2-yl)-1H-pyrazole
SMILESClc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C7H5ClN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
InChIKeyHWXAHRPTUBINPQ-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-1H-pyrazole (CID 1484051) is 5-(3-chlorothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-1H-pyrazole is Clc1ccsc1-c1ccn[nH]1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-1H-pyrazole?
The InChIKey is HWXAHRPTUBINPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10).
What are the key properties of 5-(3-chlorothiophen-2-yl)-1H-pyrazole?
5-(3-chlorothiophen-2-yl)-1H-pyrazole has a molecular weight of 184.65 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 1484051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).