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

C13H20N4S — CID 106007265

IUPAC3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1ccc(CNc2c(N)c(CC)nn2C)s1
InChIInChI=1S/C13H20N4S/c1-4-9-6-7-10(18-9)8-15-13-12(14)11(5-2)16-17(13)3/h6-7,15H,4-5,8,14H2,1-3H3
InChIKeySDTNBZAKMOHIQS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.80
Rot. Bonds5

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

3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine (PubChem CID 106007265) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
PubChem CID106007265
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1ccc(CNc2c(N)c(CC)nn2C)s1
InChIInChI=1S/C13H20N4S/c1-4-9-6-7-10(18-9)8-15-13-12(14)11(5-2)16-17(13)3/h6-7,15H,4-5,8,14H2,1-3H3
InChIKeySDTNBZAKMOHIQS-UHFFFAOYSA-N
XLogP2.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine (CID 106007265) is 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine is CCc1ccc(CNc2c(N)c(CC)nn2C)s1.
What is the InChIKey of 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine?
The InChIKey is SDTNBZAKMOHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-9-6-7-10(18-9)8-15-13-12(14)11(5-2)16-17(13)3/h6-7,15H,4-5,8,14H2,1-3H3.
What are the key properties of 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 106007265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).