N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C14H14N4O — CID 53015231

IUPACN-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3ccnn23)c1
InChIInChI=1S/C14H14N4O/c1-10-8-14(18-13(16-10)6-7-15-18)17-11-4-3-5-12(9-11)19-2/h3-9,17H,1-2H3
InChIKeyBGHDKSFHEDCOPT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.79
Rot. Bonds3

About N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53015231) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53015231
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3ccnn23)c1
InChIInChI=1S/C14H14N4O/c1-10-8-14(18-13(16-10)6-7-15-18)17-11-4-3-5-12(9-11)19-2/h3-9,17H,1-2H3
InChIKeyBGHDKSFHEDCOPT-UHFFFAOYSA-N
XLogP2.79
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53015231) is N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C)nc3ccnn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BGHDKSFHEDCOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-8-14(18-13(16-10)6-7-15-18)17-11-4-3-5-12(9-11)19-2/h3-9,17H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 254.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53015231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).