1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile

C11H11N3OS — CID 107780125

IUPAC1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2ccoc2C)c1C#N
InChIInChI=1S/C11H11N3OS/c1-7-9(6-12)11(14(3)13-7)16-10-4-5-15-8(10)2/h4-5H,1-3H3
InChIKeyWMQVSLVNGUGAFT-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.65
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile

1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile (PubChem CID 107780125) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile
PubChem CID107780125
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2ccoc2C)c1C#N
InChIInChI=1S/C11H11N3OS/c1-7-9(6-12)11(14(3)13-7)16-10-4-5-15-8(10)2/h4-5H,1-3H3
InChIKeyWMQVSLVNGUGAFT-UHFFFAOYSA-N
XLogP2.65
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63751661
1,3-dimethyl-5-(4-propan-2-ylphenyl)sulfanylpyrazole-4-carbonitrile
CID 55243875
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 107783199
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63752008
2-bromo-6-(2-methylfuran-3-yl)sulfanylbenzonitrile
CID 107780116
1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carbonitrile
CID 107749424
5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756318
1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile
CID 63752524
1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazole-4-carbonitrile
CID 63751829
1,3-dimethyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyrazole-4-carbonitrile
CID 107785914
3-(2-methylfuran-3-yl)sulfanylpyrazine-2-carbonitrile
CID 86785837
3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
CID 107780096

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile (CID 107780125) is 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile is Cc1nn(C)c(Sc2ccoc2C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile?
The InChIKey is WMQVSLVNGUGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-9(6-12)11(14(3)13-7)16-10-4-5-15-8(10)2/h4-5H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile?
1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile is sourced from PubChem (CID 107780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).