N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

C19H24FN5 — CID 16668386

IUPACN-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCN(C)C)c1C
InChIInChI=1S/C19H24FN5/c1-12-13(2)22-19-17(15-6-8-16(20)9-7-15)14(3)23-25(19)18(12)21-10-11-24(4)5/h6-9,21H,10-11H2,1-5H3
InChIKeyCHKKGXLZRTXOEP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.43
Rot. Bonds5

About N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 16668386) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID16668386
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC NameN-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCN(C)C)c1C
InChIInChI=1S/C19H24FN5/c1-12-13(2)22-19-17(15-6-8-16(20)9-7-15)14(3)23-25(19)18(12)21-10-11-24(4)5/h6-9,21H,10-11H2,1-5H3
InChIKeyCHKKGXLZRTXOEP-UHFFFAOYSA-N
XLogP3.43
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 16668386) is N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCN(C)C)c1C.
What is the InChIKey of N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CHKKGXLZRTXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-12-13(2)22-19-17(15-6-8-16(20)9-7-15)14(3)23-25(19)18(12)21-10-11-24(4)5/h6-9,21H,10-11H2,1-5H3.
What are the key properties of N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 341.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 16668386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).