2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile

C9H8N4S — CID 121214173

IUPAC2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
SMILESN#CCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C9H8N4S/c10-3-4-13-9(11)6-7(12-13)8-2-1-5-14-8/h1-2,5-6H,4,11H2
InChIKeyFQNMBTOJFDBOMF-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.72
Rot. Bonds2

About 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile

2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile (PubChem CID 121214173) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
PubChem CID121214173
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
SMILESN#CCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C9H8N4S/c10-3-4-13-9(11)6-7(12-13)8-2-1-5-14-8/h1-2,5-6H,4,11H2
InChIKeyFQNMBTOJFDBOMF-UHFFFAOYSA-N
XLogP1.72
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile?
The IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile (CID 121214173) is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile?
The canonical SMILES for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile is N#CCn1nc(-c2cccs2)cc1N.
What is the InChIKey of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile?
The InChIKey is FQNMBTOJFDBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-3-4-13-9(11)6-7(12-13)8-2-1-5-14-8/h1-2,5-6H,4,11H2.
What are the key properties of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile?
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile has a molecular weight of 204.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile is sourced from PubChem (CID 121214173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).