N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6O2 — CID 56881858

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCc1noc(CN(C)c2cc(C(C)C)nc3ccnn23)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)12-9-16(22-14(18-12)5-7-17-22)21(3)10-15-19-13(20-24-15)6-8-23-4/h5,7,9,11H,6,8,10H2,1-4H3
InChIKeyIRESCEFDURJDAU-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.06
Rot. Bonds7

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56881858) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56881858
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCc1noc(CN(C)c2cc(C(C)C)nc3ccnn23)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)12-9-16(22-14(18-12)5-7-17-22)21(3)10-15-19-13(20-24-15)6-8-23-4/h5,7,9,11H,6,8,10H2,1-4H3
InChIKeyIRESCEFDURJDAU-UHFFFAOYSA-N
XLogP2.06
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(5-Cyclopentyl-1,2,4-oxadiazol-3-YL)methyl]-5-isopropyl-N-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 56915887
2-[5-[1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104555
2-[5-[1-[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104611
2-[5-[1-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104621
2-[5-[1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104631
2-[5-[1-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104632
2-[5-[1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104633
2-[5-[1-[(3-Propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104634
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-isopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56881700
N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56908584
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-5-isopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70715000
N-{[3-(Methoxymethyl)-1,2,4-oxadiazol-5-YL]methyl}-5-propylpyrazolo[1,5-A]pyrimidin-7-amine
CID 70743641

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56881858) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is COCCc1noc(CN(C)c2cc(C(C)C)nc3ccnn23)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IRESCEFDURJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)12-9-16(22-14(18-12)5-7-17-22)21(3)10-15-19-13(20-24-15)6-8-23-4/h5,7,9,11H,6,8,10H2,1-4H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56881858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).