5-(3-chlorothiophen-2-yl)-1-phenylpyrazole

C13H9ClN2S — CID 1470875

IUPAC5-(3-chlorothiophen-2-yl)-1-phenylpyrazole
SMILESClc1ccsc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C13H9ClN2S/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-9H
InChIKeyIAUVBDHPDKGALR-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.25
Rot. Bonds2

About 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole

5-(3-chlorothiophen-2-yl)-1-phenylpyrazole (PubChem CID 1470875) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-1-phenylpyrazole
PubChem CID1470875
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name5-(3-chlorothiophen-2-yl)-1-phenylpyrazole
SMILESClc1ccsc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C13H9ClN2S/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-9H
InChIKeyIAUVBDHPDKGALR-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole
CID 107331331
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966
1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
CID 59632631
3-(2-phenylpyrazol-3-yl)cyclopent-2-en-1-one
CID 107331217
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
CID 135923293
[2-(2-phenylpyrazol-3-yl)phenyl]methanamine
CID 107330991
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
CID 167839083
2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole
CID 56956102
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 107331334
5-benzyl-1-phenylpyrazole
CID 14003889

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole (CID 1470875) is 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole is Clc1ccsc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole?
The InChIKey is IAUVBDHPDKGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole?
5-(3-chlorothiophen-2-yl)-1-phenylpyrazole has a molecular weight of 260.75 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-1-phenylpyrazole is sourced from PubChem (CID 1470875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).