N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

C16H11ClN4S — CID 6419786

IUPACN-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(Nc2ccn3ncc(-c4ccsc4)c3n2)c1
InChIInChI=1S/C16H11ClN4S/c17-12-2-1-3-13(8-12)19-15-4-6-21-16(20-15)14(9-18-21)11-5-7-22-10-11/h1-10H,(H,19,20)
InChIKeyWNJMEKPAAJAXTF-UHFFFAOYSA-N
MW326.81 g/mol
LogP4.85
Rot. Bonds3

About N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 6419786) has the molecular formula C16H11ClN4S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID6419786
Molecular FormulaC16H11ClN4S
Molecular Weight326.81 g/mol
Exact Mass326.04
IUPAC NameN-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(Nc2ccn3ncc(-c4ccsc4)c3n2)c1
InChIInChI=1S/C16H11ClN4S/c17-12-2-1-3-13(8-12)19-15-4-6-21-16(20-15)14(9-18-21)11-5-7-22-10-11/h1-10H,(H,19,20)
InChIKeyWNJMEKPAAJAXTF-UHFFFAOYSA-N
XLogP4.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 6419786) is N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is Clc1cccc(Nc2ccn3ncc(-c4ccsc4)c3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WNJMEKPAAJAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4S/c17-12-2-1-3-13(8-12)19-15-4-6-21-16(20-15)14(9-18-21)11-5-7-22-10-11/h1-10H,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 326.81 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 6419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).