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

C20H18N4O — CID 5154200

IUPACN-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)c1
InChIInChI=1S/C20H18N4O/c1-14-11-19(23-16-9-6-10-17(12-16)25-2)24-20(22-14)18(13-21-24)15-7-4-3-5-8-15/h3-13,23H,1-2H3
InChIKeyUINHIYRGCUWIDQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds4

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

N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5154200) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID5154200
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)c1
InChIInChI=1S/C20H18N4O/c1-14-11-19(23-16-9-6-10-17(12-16)25-2)24-20(22-14)18(13-21-24)15-7-4-3-5-8-15/h3-13,23H,1-2H3
InChIKeyUINHIYRGCUWIDQ-UHFFFAOYSA-N
XLogP4.46
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
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-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 5154200) is N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UINHIYRGCUWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-11-19(23-16-9-6-10-17(12-16)25-2)24-20(22-14)18(13-21-24)15-7-4-3-5-8-15/h3-13,23H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5154200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).