4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine

C13H19N3S — CID 113490564

IUPAC4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)c1c(N)n[nH]c1CCCc1cccs1
InChIInChI=1S/C13H19N3S/c1-9(2)12-11(15-16-13(12)14)7-3-5-10-6-4-8-17-10/h4,6,8-9H,3,5,7H2,1-2H3,(H3,14,15,16)
InChIKeyOBBFMIGJYJBDOZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.35
Rot. Bonds5

About 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine

4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine (PubChem CID 113490564) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine
PubChem CID113490564
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)c1c(N)n[nH]c1CCCc1cccs1
InChIInChI=1S/C13H19N3S/c1-9(2)12-11(15-16-13(12)14)7-3-5-10-6-4-8-17-10/h4,6,8-9H,3,5,7H2,1-2H3,(H3,14,15,16)
InChIKeyOBBFMIGJYJBDOZ-UHFFFAOYSA-N
XLogP3.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine (CID 113490564) is 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine is CC(C)c1c(N)n[nH]c1CCCc1cccs1.
What is the InChIKey of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine?
The InChIKey is OBBFMIGJYJBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)12-11(15-16-13(12)14)7-3-5-10-6-4-8-17-10/h4,6,8-9H,3,5,7H2,1-2H3,(H3,14,15,16).
What are the key properties of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine?
4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine has a molecular weight of 249.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 113490564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).