1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine

C14H22N4S — CID 66019643

IUPAC1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ccc(C)s2)c1N
InChIInChI=1S/C14H22N4S/c1-5-6-11-13(15)14(18(4)17-11)16-10(3)12-8-7-9(2)19-12/h7-8,10,16H,5-6,15H2,1-4H3
InChIKeyNUKLMZGWBQWUEY-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.50
Rot. Bonds5

About 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine

1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (PubChem CID 66019643) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
PubChem CID66019643
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ccc(C)s2)c1N
InChIInChI=1S/C14H22N4S/c1-5-6-11-13(15)14(18(4)17-11)16-10(3)12-8-7-9(2)19-12/h7-8,10,16H,5-6,15H2,1-4H3
InChIKeyNUKLMZGWBQWUEY-UHFFFAOYSA-N
XLogP3.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine 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 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (CID 66019643) is 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(C)c2ccc(C)s2)c1N.
What is the InChIKey of 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is NUKLMZGWBQWUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-6-11-13(15)14(18(4)17-11)16-10(3)12-8-7-9(2)19-12/h7-8,10,16H,5-6,15H2,1-4H3.
What are the key properties of 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).