2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H19FN4O — CID 3230006

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O/c1-27-12-11-23-20-13-18(15-5-3-2-4-6-15)24-21-14-19(25-26(20)21)16-7-9-17(22)10-8-16/h2-10,13-14,23H,11-12H2,1H3
InChIKeyDLKJWECDRSYIQK-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3230006) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3230006
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O/c1-27-12-11-23-20-13-18(15-5-3-2-4-6-15)24-21-14-19(25-26(20)21)16-7-9-17(22)10-8-16/h2-10,13-14,23H,11-12H2,1H3
InChIKeyDLKJWECDRSYIQK-UHFFFAOYSA-N
XLogP4.26
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Apy0201
CID 56927660
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
5-[5-amino-7-(4-fluorophenyl)-2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1H-pyridin-2-one
CID 164611330

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3230006) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DLKJWECDRSYIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-27-12-11-23-20-13-18(15-5-3-2-4-6-15)24-21-14-19(25-26(20)21)16-7-9-17(22)10-8-16/h2-10,13-14,23H,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3230006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).