5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile

C14H18N4S — CID 79553159

IUPAC5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile
SMILESCc1nn(C(C)C)c(C)c1NCc1cc(C#N)cs1
InChIInChI=1S/C14H18N4S/c1-9(2)18-11(4)14(10(3)17-18)16-7-13-5-12(6-15)8-19-13/h5,8-9,16H,7H2,1-4H3
InChIKeyKEGVJUUQWZYWCE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.63
Rot. Bonds4

About 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile

5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 79553159) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile
PubChem CID79553159
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile
SMILESCc1nn(C(C)C)c(C)c1NCc1cc(C#N)cs1
InChIInChI=1S/C14H18N4S/c1-9(2)18-11(4)14(10(3)17-18)16-7-13-5-12(6-15)8-19-13/h5,8-9,16H,7H2,1-4H3
InChIKeyKEGVJUUQWZYWCE-UHFFFAOYSA-N
XLogP3.63
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile (CID 79553159) is 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile is Cc1nn(C(C)C)c(C)c1NCc1cc(C#N)cs1.
What is the InChIKey of 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is KEGVJUUQWZYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)18-11(4)14(10(3)17-18)16-7-13-5-12(6-15)8-19-13/h5,8-9,16H,7H2,1-4H3.
What are the key properties of 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile?
5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 274.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).