5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H18N6O — CID 70759273

IUPAC5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cc(COC)n[nH]2)n2nccc2n1
InChIInChI=1S/C14H18N6O/c1-3-10-7-14(20-13(17-10)4-5-16-20)15-8-11-6-12(9-21-2)19-18-11/h4-7,15H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyXXEFIQCUQZXMLT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.77
Rot. Bonds6

About 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70759273) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70759273
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cc(COC)n[nH]2)n2nccc2n1
InChIInChI=1S/C14H18N6O/c1-3-10-7-14(20-13(17-10)4-5-16-20)15-8-11-6-12(9-21-2)19-18-11/h4-7,15H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyXXEFIQCUQZXMLT-UHFFFAOYSA-N
XLogP1.77
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70759273) is 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2cc(COC)n[nH]2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XXEFIQCUQZXMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-10-7-14(20-13(17-10)4-5-16-20)15-8-11-6-12(9-21-2)19-18-11/h4-7,15H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 286.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70759273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).