3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine

C12H18N4S — CID 66015588

IUPAC3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2cccs2)c1N
InChIInChI=1S/C12H18N4S/c1-4-9-11(13)12(16(3)15-9)14-8(2)10-6-5-7-17-10/h5-8,14H,4,13H2,1-3H3
InChIKeyCTQWRARAVLCKAM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.80
Rot. Bonds4

About 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine (PubChem CID 66015588) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
PubChem CID66015588
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2cccs2)c1N
InChIInChI=1S/C12H18N4S/c1-4-9-11(13)12(16(3)15-9)14-8(2)10-6-5-7-17-10/h5-8,14H,4,13H2,1-3H3
InChIKeyCTQWRARAVLCKAM-UHFFFAOYSA-N
XLogP2.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-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

Related Compounds

3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
CID 66014606
3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
CID 66015829
5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016788
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106733
3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
CID 66016072

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine (CID 66015588) is 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine is CCc1nn(C)c(NC(C)c2cccs2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine?
The InChIKey is CTQWRARAVLCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-9-11(13)12(16(3)15-9)14-8(2)10-6-5-7-17-10/h5-8,14H,4,13H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66015588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).