5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H10ClF3N4O — CID 44589885

IUPAC5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2
InChIKeyZQPVSDKTTNKMQX-UHFFFAOYSA-N
MW342.71 g/mol
LogP3.89
Rot. Bonds4

About 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44589885) has the molecular formula C14H10ClF3N4O and a molecular weight of 342.71 g/mol. Its IUPAC name is 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44589885
Molecular FormulaC14H10ClF3N4O
Molecular Weight342.71 g/mol
Exact Mass342.05
IUPAC Name5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2
InChIKeyZQPVSDKTTNKMQX-UHFFFAOYSA-N
XLogP3.89
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 44589885) is 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZQPVSDKTTNKMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2.
What are the key properties of 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.71 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44589885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).