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

C14H14N4O — CID 162649167

IUPAC3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1ccn2ncc(-c3cccc(OC)c3)c2n1
InChIInChI=1S/C14H14N4O/c1-15-13-6-7-18-14(17-13)12(9-16-18)10-4-3-5-11(8-10)19-2/h3-9H,1-2H3,(H,15,17)
InChIKeyZJCYAMJZCUOTFJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.45
Rot. Bonds3

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

3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 162649167) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID162649167
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1ccn2ncc(-c3cccc(OC)c3)c2n1
InChIInChI=1S/C14H14N4O/c1-15-13-6-7-18-14(17-13)12(9-16-18)10-4-3-5-11(8-10)19-2/h3-9H,1-2H3,(H,15,17)
InChIKeyZJCYAMJZCUOTFJ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine
CID 135567262
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
GS-458967
CID 58118983
US10125144, Example 18
CID 118010994
US9580437, Example 11
CID 121432925
3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145996543
Ret-IN-3
CID 146018674

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (CID 162649167) is 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is CNc1ccn2ncc(-c3cccc(OC)c3)c2n1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ZJCYAMJZCUOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-13-6-7-18-14(17-13)12(9-16-18)10-4-3-5-11(8-10)19-2/h3-9H,1-2H3,(H,15,17).
What are the key properties of 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 162649167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).