1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine

C10H11Cl2FN4 — CID 167383207

IUPAC1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2nc(Cl)c(F)c(Cl)n2n1
InChIInChI=1S/C10H11Cl2FN4/c1-3-5(14-2)6-4-7-15-9(11)8(13)10(12)17(7)16-6/h4-5,14H,3H2,1-2H3
InChIKeyJIBBTUQSWDYTCT-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.85
Rot. Bonds3

About 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine

1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine (PubChem CID 167383207) has the molecular formula C10H11Cl2FN4 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine
PubChem CID167383207
Molecular FormulaC10H11Cl2FN4
Molecular Weight277.13 g/mol
Exact Mass276.03
IUPAC Name1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2nc(Cl)c(F)c(Cl)n2n1
InChIInChI=1S/C10H11Cl2FN4/c1-3-5(14-2)6-4-7-15-9(11)8(13)10(12)17(7)16-6/h4-5,14H,3H2,1-2H3
InChIKeyJIBBTUQSWDYTCT-UHFFFAOYSA-N
XLogP2.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine (CID 167383207) is 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc2nc(Cl)c(F)c(Cl)n2n1.
What is the InChIKey of 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine?
The InChIKey is JIBBTUQSWDYTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN4/c1-3-5(14-2)6-4-7-15-9(11)8(13)10(12)17(7)16-6/h4-5,14H,3H2,1-2H3.
What are the key properties of 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine?
1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine has a molecular weight of 277.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 167383207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).