3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile

C14H9N3S — CID 28956679

IUPAC3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H9N3S/c15-9-14-12(5-7-18-14)10-2-1-3-11(8-10)13-4-6-16-17-13/h1-8H,(H,16,17)
InChIKeyOFMBTERSRAIDNL-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.68
Rot. Bonds2

About 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile

3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile (PubChem CID 28956679) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile
PubChem CID28956679
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H9N3S/c15-9-14-12(5-7-18-14)10-2-1-3-11(8-10)13-4-6-16-17-13/h1-8H,(H,16,17)
InChIKeyOFMBTERSRAIDNL-UHFFFAOYSA-N
XLogP3.68
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Thienyl)pyrazole
CID 340711
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
6-(Thiophen-3-yl)-1H-indazole
CID 18007497
Cyto6G4
CID 2822152
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
CID 2821046
6-(4-methylthiophen-2-yl)-1H-indazole
CID 70851357
5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole
CID 2820285
5-(Thiophen-3-yl)-1H-indazole
CID 19352958
5-(5-methylthiophen-2-yl)-1H-indazole
CID 53408077
6-(Thiophen-2-yl)-1H-indazole
CID 53408450

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile?
The IUPAC name of 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile (CID 28956679) is 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile is N#Cc1sccc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile?
The InChIKey is OFMBTERSRAIDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-9-14-12(5-7-18-14)10-2-1-3-11(8-10)13-4-6-16-17-13/h1-8H,(H,16,17).
What are the key properties of 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile?
3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 28956679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).