1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine

C16H17N3S — CID 62770787

IUPAC1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N3S/c1-12(17)16(14-7-8-20-11-14)19-10-15(9-18-19)13-5-3-2-4-6-13/h2-12,16H,17H2,1H3
InChIKeyUQNGGMBNXQGDLH-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine

1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 62770787) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine
PubChem CID62770787
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N3S/c1-12(17)16(14-7-8-20-11-14)19-10-15(9-18-19)13-5-3-2-4-6-13/h2-12,16H,17H2,1H3
InChIKeyUQNGGMBNXQGDLH-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine (CID 62770787) is 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine is CC(N)C(c1ccsc1)n1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is UQNGGMBNXQGDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12(17)16(14-7-8-20-11-14)19-10-15(9-18-19)13-5-3-2-4-6-13/h2-12,16H,17H2,1H3.
What are the key properties of 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine?
1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62770787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).