5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C13H16N4S — CID 63751809

IUPAC5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(Cc1cccs1)c1c(C#N)c(C)nn1C
InChIInChI=1S/C13H16N4S/c1-4-17(9-11-6-5-7-18-11)13-12(8-14)10(2)15-16(13)3/h5-7H,4,9H2,1-3H3
InChIKeyLPSWYRKKPCWMQL-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.69
Rot. Bonds4

About 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63751809) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63751809
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(Cc1cccs1)c1c(C#N)c(C)nn1C
InChIInChI=1S/C13H16N4S/c1-4-17(9-11-6-5-7-18-11)13-12(8-14)10(2)15-16(13)3/h5-7H,4,9H2,1-3H3
InChIKeyLPSWYRKKPCWMQL-UHFFFAOYSA-N
XLogP2.69
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 150198918
5-amino-3-[(Z)-1-cyano-2-thiophen-2-ylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5286599
3-[3-[5-Amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1,2-dimethyl-1-(2-thiophen-2-ylethyl)guanidine
CID 109547922
5,6-Dimethyl-3-(2-thiophen-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 45808484
1-(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 56717669
5-Amino-1-tert-butyl-3-thiophen-3-ylpyrazole-4-carbonitrile
CID 54346692
[Cyano(thiophen-2-yl)methyl]-(2,5-dimethylpyrazol-3-yl)carbamic acid
CID 70399497
butane;5-[1,4-diethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-yl]thiophene-2-carbonitrile
CID 143605010
1,3-Dimethyl-4-thiophen-2-yl-6,7,8,9-tetrahydropyrazolo[5,4-b][1,5]diazocine
CID 151774374
5-Amino-3-(1-cyano-2-thiophen-2-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 3107512
1,5-dimethyl-N-[(thiophen-2-yl)methyl]-1H-pyrazol-3-amine
CID 19626744

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63751809) is 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is CCN(Cc1cccs1)c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is LPSWYRKKPCWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-4-17(9-11-6-5-7-18-11)13-12(8-14)10(2)15-16(13)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 260.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63751809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).