1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol

C10H13ClN4O2 — CID 171858182

IUPAC1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C10H13ClN4O2/c1-12-5-7(16)9(17)6-4-13-15-3-2-8(11)14-10(6)15/h2-4,7,9,12,16-17H,5H2,1H3
InChIKeyJVPXHMHNAIXKBK-UHFFFAOYSA-N
MW256.69 g/mol
LogP-0.00
Rot. Bonds4

About 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol

1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol (PubChem CID 171858182) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol
PubChem CID171858182
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C10H13ClN4O2/c1-12-5-7(16)9(17)6-4-13-15-3-2-8(11)14-10(6)15/h2-4,7,9,12,16-17H,5H2,1H3
InChIKeyJVPXHMHNAIXKBK-UHFFFAOYSA-N
XLogP-0.00
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol (CID 171858182) is 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cnn2ccc(Cl)nc12.
What is the InChIKey of 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol?
The InChIKey is JVPXHMHNAIXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-12-5-7(16)9(17)6-4-13-15-3-2-8(11)14-10(6)15/h2-4,7,9,12,16-17H,5H2,1H3.
What are the key properties of 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol?
1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol has a molecular weight of 256.69 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171858182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).