5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H16F2N4O — CID 45488406

IUPAC5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(-c3ccc(F)c(F)c3)nc3ccnn23)cc1
InChIInChI=1S/C20H16F2N4O/c1-27-15-5-2-13(3-6-15)12-23-20-11-18(25-19-8-9-24-26(19)20)14-4-7-16(21)17(22)10-14/h2-11,23H,12H2,1H3
InChIKeyAZYCLGZLTXDMSO-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.30
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 45488406) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID45488406
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(-c3ccc(F)c(F)c3)nc3ccnn23)cc1
InChIInChI=1S/C20H16F2N4O/c1-27-15-5-2-13(3-6-15)12-23-20-11-18(25-19-8-9-24-26(19)20)14-4-7-16(21)17(22)10-14/h2-11,23H,12H2,1H3
InChIKeyAZYCLGZLTXDMSO-UHFFFAOYSA-N
XLogP4.30
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 45488406) is 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2cc(-c3ccc(F)c(F)c3)nc3ccnn23)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AZYCLGZLTXDMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-27-15-5-2-13(3-6-15)12-23-20-11-18(25-19-8-9-24-26(19)20)14-4-7-16(21)17(22)10-14/h2-11,23H,12H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 45488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).