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

C19H15FN4 — CID 3333332

IUPACN-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H15FN4/c1-13-11-18(23-16-9-7-15(20)8-10-16)24-19(22-13)17(12-21-24)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyFARHLJZWTVVUIR-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.59
Rot. Bonds3

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

N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3333332) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3333332
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC NameN-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H15FN4/c1-13-11-18(23-16-9-7-15(20)8-10-16)24-19(22-13)17(12-21-24)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyFARHLJZWTVVUIR-UHFFFAOYSA-N
XLogP4.59
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
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Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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(R)-Zinc-3573
CID 95882507
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3333332) is N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FARHLJZWTVVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-13-11-18(23-16-9-7-15(20)8-10-16)24-19(22-13)17(12-21-24)14-5-3-2-4-6-14/h2-12,23H,1H3.
What are the key properties of N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 318.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3333332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).