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

C19H21FN4 — CID 46299146

IUPACN-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H21FN4/c1-13-11-18(23-16-5-3-2-4-6-16)24-19(22-13)17(12-21-24)14-7-9-15(20)10-8-14/h7-12,16,23H,2-6H2,1H3
InChIKeyHSAIGELMQYVNCS-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.59
Rot. Bonds3

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

N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299146) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299146
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H21FN4/c1-13-11-18(23-16-5-3-2-4-6-16)24-19(22-13)17(12-21-24)14-7-9-15(20)10-8-14/h7-12,16,23H,2-6H2,1H3
InChIKeyHSAIGELMQYVNCS-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 ≤ 500324.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 46299146) is N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCCC2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HSAIGELMQYVNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13-11-18(23-16-5-3-2-4-6-16)24-19(22-13)17(12-21-24)14-7-9-15(20)10-8-14/h7-12,16,23H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 324.40 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-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).