N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C21H19FN4O — CID 1441056

IUPACN-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc3nc(C)cc(NCc4cccc(F)c4)n3n2)cc1
InChIInChI=1S/C21H19FN4O/c1-14-10-20(23-13-15-4-3-5-17(22)11-15)26-21(24-14)12-19(25-26)16-6-8-18(27-2)9-7-16/h3-12,23H,13H2,1-2H3
InChIKeyBFZNXBDTKJXAAJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.46
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1441056) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1441056
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc3nc(C)cc(NCc4cccc(F)c4)n3n2)cc1
InChIInChI=1S/C21H19FN4O/c1-14-10-20(23-13-15-4-3-5-17(22)11-15)26-21(24-14)12-19(25-26)16-6-8-18(27-2)9-7-16/h3-12,23H,13H2,1-2H3
InChIKeyBFZNXBDTKJXAAJ-UHFFFAOYSA-N
XLogP4.46
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 82270770
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 122174850
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230053
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3227937
2-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 1441414
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1441056) is N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cc3nc(C)cc(NCc4cccc(F)c4)n3n2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BFZNXBDTKJXAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-10-20(23-13-15-4-3-5-17(22)11-15)26-21(24-14)12-19(25-26)16-6-8-18(27-2)9-7-16/h3-12,23H,13H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1441056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).