5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine

C9H11N3S — CID 118100610

IUPAC5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine
SMILESCC(c1cc(N)n[nH]1)c1cccs1
InChIInChI=1S/C9H11N3S/c1-6(8-3-2-4-13-8)7-5-9(10)12-11-7/h2-6H,1H3,(H3,10,11,12)
InChIKeyDYJRRJMIWPDAON-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.21
Rot. Bonds2

About 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine

5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine (PubChem CID 118100610) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine
PubChem CID118100610
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine
SMILESCC(c1cc(N)n[nH]1)c1cccs1
InChIInChI=1S/C9H11N3S/c1-6(8-3-2-4-13-8)7-5-9(10)12-11-7/h2-6H,1H3,(H3,10,11,12)
InChIKeyDYJRRJMIWPDAON-UHFFFAOYSA-N
XLogP2.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine (CID 118100610) is 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine is CC(c1cc(N)n[nH]1)c1cccs1.
What is the InChIKey of 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine?
The InChIKey is DYJRRJMIWPDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6(8-3-2-4-13-8)7-5-9(10)12-11-7/h2-6H,1H3,(H3,10,11,12).
What are the key properties of 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine?
5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine has a molecular weight of 193.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 118100610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).