2-phenylacetonitrile;1H-pyrazole;thiophene

C15H15N3S — CID 174948928

IUPAC2-phenylacetonitrile;1H-pyrazole;thiophene
SMILESN#CCc1ccccc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C8H7N.C4H4S.C3H4N2/c9-7-6-8-4-2-1-3-5-8;2*1-2-4-5-3-1/h1-5H,6H2;1-4H;1-3H,(H,4,5)
InChIKeyIFRMUOUYFJLJJF-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.91
Rot. Bonds1

About 2-phenylacetonitrile;1H-pyrazole;thiophene

2-phenylacetonitrile;1H-pyrazole;thiophene (PubChem CID 174948928) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-phenylacetonitrile;1H-pyrazole;thiophene.

Molecular Properties

Compound Name2-phenylacetonitrile;1H-pyrazole;thiophene
PubChem CID174948928
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-phenylacetonitrile;1H-pyrazole;thiophene
SMILESN#CCc1ccccc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C8H7N.C4H4S.C3H4N2/c9-7-6-8-4-2-1-3-5-8;2*1-2-4-5-3-1/h1-5H,6H2;1-4H;1-3H,(H,4,5)
InChIKeyIFRMUOUYFJLJJF-UHFFFAOYSA-N
XLogP3.91
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole;pyridine;thiophene
CID 158592325
2-phenylacetonitrile;pyridine
CID 22283000
benzyl formate;1H-pyrazole
CID 175258603
ethanol;2-phenylacetonitrile
CID 70378956
acetic acid;2-phenylacetonitrile
CID 67811992
pentane;2-phenylacetonitrile
CID 175401788
lithium;hydride;1H-pyrazole
CID 173266109
2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine
CID 158079207
2-[3-(N-phenylanilino)phenyl]acetonitrile
CID 141205110
2-(4-hydroxyphenyl)acetonitrile
CID 26548
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
2-(6-pyridin-2-yl-3-pyridinyl)acetonitrile
CID 121008779

Frequently Asked Questions

What is the IUPAC name of 2-phenylacetonitrile;1H-pyrazole;thiophene?
The IUPAC name of 2-phenylacetonitrile;1H-pyrazole;thiophene (CID 174948928) is 2-phenylacetonitrile;1H-pyrazole;thiophene.
What is the SMILES notation for 2-phenylacetonitrile;1H-pyrazole;thiophene?
The canonical SMILES for 2-phenylacetonitrile;1H-pyrazole;thiophene is N#CCc1ccccc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of 2-phenylacetonitrile;1H-pyrazole;thiophene?
The InChIKey is IFRMUOUYFJLJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C4H4S.C3H4N2/c9-7-6-8-4-2-1-3-5-8;2*1-2-4-5-3-1/h1-5H,6H2;1-4H;1-3H,(H,4,5).
What are the key properties of 2-phenylacetonitrile;1H-pyrazole;thiophene?
2-phenylacetonitrile;1H-pyrazole;thiophene has a molecular weight of 269.37 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetonitrile;1H-pyrazole;thiophene is sourced from PubChem (CID 174948928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).