1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile

C14H9N3S — CID 1087050

IUPAC1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H9N3S/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H
InChIKeyPUFVDYVFLXALBQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.47
Rot. Bonds2

About 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile

1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile (PubChem CID 1087050) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile
PubChem CID1087050
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H9N3S/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H
InChIKeyPUFVDYVFLXALBQ-UHFFFAOYSA-N
XLogP3.47
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylic acid
CID 876549
[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 6904022
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
CID 2998304
CID 2998304
nitric acid;2-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine
CID 16239028
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
7,9-Dimethyl-1-phenyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 9817612
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
4-Methyl-2-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145986186

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile (CID 1087050) is 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile is N#Cc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile?
The InChIKey is PUFVDYVFLXALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H.
What are the key properties of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile?
1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 1087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).