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

C21H20N4O — CID 126471747

IUPACN-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(-c2cnn3c(N(C)Cc4ccccc4)ccnc23)c1
InChIInChI=1S/C21H20N4O/c1-24(15-16-7-4-3-5-8-16)20-11-12-22-21-19(14-23-25(20)21)17-9-6-10-18(13-17)26-2/h3-14H,15H2,1-2H3
InChIKeyBFENZOYGNGPQAO-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.04
Rot. Bonds5

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

N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126471747) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126471747
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(-c2cnn3c(N(C)Cc4ccccc4)ccnc23)c1
InChIInChI=1S/C21H20N4O/c1-24(15-16-7-4-3-5-8-16)20-11-12-22-21-19(14-23-25(20)21)17-9-6-10-18(13-17)26-2/h3-14H,15H2,1-2H3
InChIKeyBFENZOYGNGPQAO-UHFFFAOYSA-N
XLogP4.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 126471747) is N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(-c2cnn3c(N(C)Cc4ccccc4)ccnc23)c1.
What is the InChIKey of N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BFENZOYGNGPQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24(15-16-7-4-3-5-8-16)20-11-12-22-21-19(14-23-25(20)21)17-9-6-10-18(13-17)26-2/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126471747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).