2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile

C9H7N3S — CID 14911014

IUPAC2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
SMILESN#CCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H7N3S/c10-4-3-7-6-8(12-11-7)9-2-1-5-13-9/h1-2,5-6H,3H2,(H,11,12)
InChIKeyGFSDRRGYUVUTHD-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.20
Rot. Bonds2

About 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile (PubChem CID 14911014) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
PubChem CID14911014
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
SMILESN#CCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H7N3S/c10-4-3-7-6-8(12-11-7)9-2-1-5-13-9/h1-2,5-6H,3H2,(H,11,12)
InChIKeyGFSDRRGYUVUTHD-UHFFFAOYSA-N
XLogP2.20
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
CID 19627680
5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
CID 23006217
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
CID 19627694

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile (CID 14911014) is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile is N#CCc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile?
The InChIKey is GFSDRRGYUVUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c10-4-3-7-6-8(12-11-7)9-2-1-5-13-9/h1-2,5-6H,3H2,(H,11,12).
What are the key properties of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile?
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile is sourced from PubChem (CID 14911014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).