N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine

C15H23N3S — CID 84588852

IUPACN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)c1cnn(C(C)C)c1)c1ccsc1
InChIInChI=1S/C15H23N3S/c1-11(2)18-9-15(8-17-18)13(4)16-7-12(3)14-5-6-19-10-14/h5-6,8-13,16H,7H2,1-4H3
InChIKeyFJBLTJLVJXQILC-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine

N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine (PubChem CID 84588852) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
PubChem CID84588852
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)c1cnn(C(C)C)c1)c1ccsc1
InChIInChI=1S/C15H23N3S/c1-11(2)18-9-15(8-17-18)13(4)16-7-12(3)14-5-6-19-10-14/h5-6,8-13,16H,7H2,1-4H3
InChIKeyFJBLTJLVJXQILC-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine (CID 84588852) is N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine is CC(CNC(C)c1cnn(C(C)C)c1)c1ccsc1.
What is the InChIKey of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The InChIKey is FJBLTJLVJXQILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11(2)18-9-15(8-17-18)13(4)16-7-12(3)14-5-6-19-10-14/h5-6,8-13,16H,7H2,1-4H3.
What are the key properties of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 84588852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).