5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine

C9H11N3S — CID 3154161

IUPAC5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCc1cc(N)n(Cc2cccs2)n1
InChIInChI=1S/C9H11N3S/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3
InChIKeyFOEIWTDMPBFADW-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine

5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 3154161) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID3154161
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCc1cc(N)n(Cc2cccs2)n1
InChIInChI=1S/C9H11N3S/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3
InChIKeyFOEIWTDMPBFADW-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 3154161) is 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine is Cc1cc(N)n(Cc2cccs2)n1.
What is the InChIKey of 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is FOEIWTDMPBFADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3.
What are the key properties of 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine?
5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine has a molecular weight of 193.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 3154161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).