1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C11H15N3S — CID 19626821

IUPAC1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccsc2)c(C)n1
InChIInChI=1S/C11H15N3S/c1-3-14-7-11(9(2)13-14)12-6-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyZUZINFYEERZHJO-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.89
Rot. Bonds4

About 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 19626821) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID19626821
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccsc2)c(C)n1
InChIInChI=1S/C11H15N3S/c1-3-14-7-11(9(2)13-14)12-6-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyZUZINFYEERZHJO-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 19626821) is 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is CCn1cc(NCc2ccsc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is ZUZINFYEERZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-14-7-11(9(2)13-14)12-6-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 221.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 19626821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).