5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile

C10H10N4S — CID 115702876

IUPAC5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile
SMILESCn1nccc1NCc1ccc(C#N)s1
InChIInChI=1S/C10H10N4S/c1-14-10(4-5-13-14)12-7-9-3-2-8(6-11)15-9/h2-5,12H,7H2,1H3
InChIKeyIIGDWYKFAXWJBB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.97
Rot. Bonds3

About 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile

5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 115702876) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile
PubChem CID115702876
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile
SMILESCn1nccc1NCc1ccc(C#N)s1
InChIInChI=1S/C10H10N4S/c1-14-10(4-5-13-14)12-7-9-3-2-8(6-11)15-9/h2-5,12H,7H2,1H3
InChIKeyIIGDWYKFAXWJBB-UHFFFAOYSA-N
XLogP1.97
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 115899681
5-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 103729235
5-[(4-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250062
5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
CID 159467647
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
5-[[(6-chloro-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 115975883
2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol
CID 19627565
5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
CID 113281796
5-[(3-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743071
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 104624407
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile (CID 115702876) is 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile is Cn1nccc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is IIGDWYKFAXWJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-14-10(4-5-13-14)12-7-9-3-2-8(6-11)15-9/h2-5,12H,7H2,1H3.
What are the key properties of 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile?
5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 218.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115702876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).