5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

C13H11N5O — CID 68606784

IUPAC5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESCn1ccc(C#CCOc2ccn3nccc3n2)n1
InChIInChI=1S/C13H11N5O/c1-17-8-5-11(16-17)3-2-10-19-13-6-9-18-12(15-13)4-7-14-18/h4-9H,10H2,1H3
InChIKeyLIFLWINLVBXNRT-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.89
Rot. Bonds2

About 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 68606784) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID68606784
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC Name5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESCn1ccc(C#CCOc2ccn3nccc3n2)n1
InChIInChI=1S/C13H11N5O/c1-17-8-5-11(16-17)3-2-10-19-13-6-9-18-12(15-13)4-7-14-18/h4-9H,10H2,1H3
InChIKeyLIFLWINLVBXNRT-UHFFFAOYSA-N
XLogP0.89
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (CID 68606784) is 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is Cn1ccc(C#CCOc2ccn3nccc3n2)n1.
What is the InChIKey of 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is LIFLWINLVBXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-17-8-5-11(16-17)3-2-10-19-13-6-9-18-12(15-13)4-7-14-18/h4-9H,10H2,1H3.
What are the key properties of 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 253.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68606784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).