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

C10H9N3S — CID 15707631

IUPAC2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
SMILESCn1nc(-c2cccs2)cc1CC#N
InChIInChI=1S/C10H9N3S/c1-13-8(4-5-11)7-9(12-13)10-3-2-6-14-10/h2-3,6-7H,4H2,1H3
InChIKeyWILOPKQXWGSLAU-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.21
Rot. Bonds2

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

2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile (PubChem CID 15707631) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
PubChem CID15707631
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
SMILESCn1nc(-c2cccs2)cc1CC#N
InChIInChI=1S/C10H9N3S/c1-13-8(4-5-11)7-9(12-13)10-3-2-6-14-10/h2-3,6-7H,4H2,1H3
InChIKeyWILOPKQXWGSLAU-UHFFFAOYSA-N
XLogP2.21
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
5-[(4-butylphenyl)sulfonylmethyl]-1-methyl-3-thiophen-2-ylpyrazole
CID 158457104
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
2-(1-prop-2-ynyl-3-thiophen-2-ylpyrazol-4-yl)acetonitrile
CID 121213741
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
CID 121211134
3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile (CID 15707631) is 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile is Cn1nc(-c2cccs2)cc1CC#N.
What is the InChIKey of 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile?
The InChIKey is WILOPKQXWGSLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-13-8(4-5-11)7-9(12-13)10-3-2-6-14-10/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile?
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile has a molecular weight of 203.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile is sourced from PubChem (CID 15707631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).