2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

C15H11N3S2 — CID 2821046

IUPAC2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccn[nH]2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H11N3S2/c1-19-15-11(9-16)13(10-5-3-2-4-6-10)14(20-15)12-7-8-17-18-12/h2-8H,1H3,(H,17,18)
InChIKeyGERHNZJKBJVPGZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.40
Rot. Bonds3

About 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (PubChem CID 2821046) has the molecular formula C15H11N3S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
PubChem CID2821046
Molecular FormulaC15H11N3S2
Molecular Weight297.41 g/mol
Exact Mass297.04
IUPAC Name2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccn[nH]2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H11N3S2/c1-19-15-11(9-16)13(10-5-3-2-4-6-10)14(20-15)12-7-8-17-18-12/h2-8H,1H3,(H,17,18)
InChIKeyGERHNZJKBJVPGZ-UHFFFAOYSA-N
XLogP4.40
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
Cyto6G4
CID 2822152
5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole
CID 2820285
5-(3-Thienyl)-1h-pyrazole
CID 729699
5-Phenyl-3-(thiophen-2-yl)-1h-pyrazole
CID 12226798
5-(2-methylsulfanylphenyl)-1H-pyrazole
CID 11019654
3-[3-(1H-pyrazol-3-yl)phenyl]-2-thiophenecarbonitrile
CID 28956679
4-(3-fluorophenyl)-5-thiophen-2-yl-1H-pyrazole
CID 9921169
4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole
CID 59888697
N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine
CID 70104051
5-methyl-4-[2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazole
CID 141188142
(6E)-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-6-[1-(4-methylthiophen-2-yl)ethylidene]cyclohexa-2,4-dien-1-imine
CID 163887521

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (CID 2821046) is 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is CSc1sc(-c2ccn[nH]2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The InChIKey is GERHNZJKBJVPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S2/c1-19-15-11(9-16)13(10-5-3-2-4-6-10)14(20-15)12-7-8-17-18-12/h2-8H,1H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 297.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 2821046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).