2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C23H24N4 — CID 7204280

IUPAC2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C23H24N4/c1-15-21(17-8-6-5-7-9-17)22(24)27-20(25-15)14-19(26-27)16-10-12-18(13-11-16)23(2,3)4/h5-14H,24H2,1-4H3
InChIKeyKPDHQBUOTVCNGD-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.25
Rot. Bonds2

About 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 7204280) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID7204280
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C23H24N4/c1-15-21(17-8-6-5-7-9-17)22(24)27-20(25-15)14-19(26-27)16-10-12-18(13-11-16)23(2,3)4/h5-14H,24H2,1-4H3
InChIKeyKPDHQBUOTVCNGD-UHFFFAOYSA-N
XLogP5.25
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 7204280) is 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c(N)c1-c1ccccc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KPDHQBUOTVCNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-15-21(17-8-6-5-7-9-17)22(24)27-20(25-15)14-19(26-27)16-10-12-18(13-11-16)23(2,3)4/h5-14H,24H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.47 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 7204280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).