6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C30H30N4 — CID 3747470

IUPAC6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(C(C)C)cc2)c1Cc1ccccc1
InChIInChI=1S/C30H30N4/c1-20(2)24-15-17-26(18-16-24)32-29-27(19-23-11-7-5-8-12-23)21(3)31-30-28(22(4)33-34(29)30)25-13-9-6-10-14-25/h5-18,20,32H,19H2,1-4H3
InChIKeyBGVXFWWCRRKXNV-UHFFFAOYSA-N
MW446.60 g/mol
LogP7.47
Rot. Bonds6

About 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3747470) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3747470
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(C(C)C)cc2)c1Cc1ccccc1
InChIInChI=1S/C30H30N4/c1-20(2)24-15-17-26(18-16-24)32-29-27(19-23-11-7-5-8-12-23)21(3)31-30-28(22(4)33-34(29)30)25-13-9-6-10-14-25/h5-18,20,32H,19H2,1-4H3
InChIKeyBGVXFWWCRRKXNV-UHFFFAOYSA-N
XLogP7.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 3747470) is 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(C(C)C)cc2)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BGVXFWWCRRKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-20(2)24-15-17-26(18-16-24)32-29-27(19-23-11-7-5-8-12-23)21(3)31-30-28(22(4)33-34(29)30)25-13-9-6-10-14-25/h5-18,20,32H,19H2,1-4H3.
What are the key properties of 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 446.60 g/mol, XLogP of 7.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3747470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).