1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C15H14F3N5O — CID 69009384

IUPAC1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCC(N)c1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)24-10-3-1-9(2-4-10)11-8-21-23-6-5-13(12(20)7-19)22-14(11)23/h1-6,8,12H,7,19-20H2
InChIKeySLFBLAFHQFSCGD-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.25
Rot. Bonds4

About 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 69009384) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID69009384
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCC(N)c1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)24-10-3-1-9(2-4-10)11-8-21-23-6-5-13(12(20)7-19)22-14(11)23/h1-6,8,12H,7,19-20H2
InChIKeySLFBLAFHQFSCGD-UHFFFAOYSA-N
XLogP2.25
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 69009384) is 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCC(N)c1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1.
What is the InChIKey of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is SLFBLAFHQFSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-15(17,18)24-10-3-1-9(2-4-10)11-8-21-23-6-5-13(12(20)7-19)22-14(11)23/h1-6,8,12H,7,19-20H2.
What are the key properties of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 337.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 69009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).