3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H12ClFN4S — CID 155563034

IUPAC3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cc1Cl
InChIInChI=1S/C17H12ClFN4S/c18-14-8-11(3-4-15(14)19)13-10-22-23-16(5-6-20-17(13)23)21-9-12-2-1-7-24-12/h1-8,10,21H,9H2
InChIKeyHFNJCZRTSMXHNX-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.86
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155563034) has the molecular formula C17H12ClFN4S and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID155563034
Molecular FormulaC17H12ClFN4S
Molecular Weight358.83 g/mol
Exact Mass358.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cc1Cl
InChIInChI=1S/C17H12ClFN4S/c18-14-8-11(3-4-15(14)19)13-10-22-23-16(5-6-20-17(13)23)21-9-12-2-1-7-24-12/h1-8,10,21H,9H2
InChIKeyHFNJCZRTSMXHNX-UHFFFAOYSA-N
XLogP4.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 155563034) is 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HFNJCZRTSMXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4S/c18-14-8-11(3-4-15(14)19)13-10-22-23-16(5-6-20-17(13)23)21-9-12-2-1-7-24-12/h1-8,10,21H,9H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 358.83 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155563034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).