N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

C16H10ClFN4S — CID 59662579

IUPACN-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cc1Cl
InChIInChI=1S/C16H10ClFN4S/c17-13-7-11(1-2-14(13)18)20-15-3-5-22-16(21-15)12(8-19-22)10-4-6-23-9-10/h1-9H,(H,20,21)
InChIKeyQWUFHJJUPVODTN-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.99
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662579) has the molecular formula C16H10ClFN4S and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662579
Molecular FormulaC16H10ClFN4S
Molecular Weight344.80 g/mol
Exact Mass344.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESFc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cc1Cl
InChIInChI=1S/C16H10ClFN4S/c17-13-7-11(1-2-14(13)18)20-15-3-5-22-16(21-15)12(8-19-22)10-4-6-23-9-10/h1-9H,(H,20,21)
InChIKeyQWUFHJJUPVODTN-UHFFFAOYSA-N
XLogP4.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662579) is N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is Fc1ccc(Nc2ccn3ncc(-c4ccsc4)c3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QWUFHJJUPVODTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4S/c17-13-7-11(1-2-14(13)18)20-15-3-5-22-16(21-15)12(8-19-22)10-4-6-23-9-10/h1-9H,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 344.80 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).