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

C20H17FN4O — CID 126473838

IUPAC3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2ccnc3c(-c4cccc(F)c4)cnn23)cc1
InChIInChI=1S/C20H17FN4O/c1-26-17-7-5-14(6-8-17)12-23-19-9-10-22-20-18(13-24-25(19)20)15-3-2-4-16(21)11-15/h2-11,13,23H,12H2,1H3
InChIKeyCLDAMKYYMWZEMP-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.16
Rot. Bonds5

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

3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126473838) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126473838
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2ccnc3c(-c4cccc(F)c4)cnn23)cc1
InChIInChI=1S/C20H17FN4O/c1-26-17-7-5-14(6-8-17)12-23-19-9-10-22-20-18(13-24-25(19)20)15-3-2-4-16(21)11-15/h2-11,13,23H,12H2,1H3
InChIKeyCLDAMKYYMWZEMP-UHFFFAOYSA-N
XLogP4.16
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472232
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473551
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46852268
3-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628380
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
7-methoxy-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 13465938

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 126473838) is 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2ccnc3c(-c4cccc(F)c4)cnn23)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CLDAMKYYMWZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-26-17-7-5-14(6-8-17)12-23-19-9-10-22-20-18(13-24-25(19)20)15-3-2-4-16(21)11-15/h2-11,13,23H,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126473838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).