4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine

C9H11N3S — CID 43148139

IUPAC4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2ccsc2)c1N
InChIInChI=1S/C9H11N3S/c1-7-4-11-12(9(7)10)5-8-2-3-13-6-8/h2-4,6H,5,10H2,1H3
InChIKeyLXSCXHJQNKEYFK-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine

4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine (PubChem CID 43148139) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine
PubChem CID43148139
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2ccsc2)c1N
InChIInChI=1S/C9H11N3S/c1-7-4-11-12(9(7)10)5-8-2-3-13-6-8/h2-4,6H,5,10H2,1H3
InChIKeyLXSCXHJQNKEYFK-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 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine (CID 43148139) is 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine is Cc1cnn(Cc2ccsc2)c1N.
What is the InChIKey of 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine?
The InChIKey is LXSCXHJQNKEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-4-11-12(9(7)10)5-8-2-3-13-6-8/h2-4,6H,5,10H2,1H3.
What are the key properties of 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine?
4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-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 4-methyl-1-(thiophen-3-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 43148139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).