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

C21H20N4 — CID 4304394

IUPACN-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4/c1-14-9-10-18(11-15(14)2)24-20-12-16(3)23-21-19(13-22-25(20)21)17-7-5-4-6-8-17/h4-13,24H,1-3H3
InChIKeyHQJLOJARRXJMFG-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4304394) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4304394
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4/c1-14-9-10-18(11-15(14)2)24-20-12-16(3)23-21-19(13-22-25(20)21)17-7-5-4-6-8-17/h4-13,24H,1-3H3
InChIKeyHQJLOJARRXJMFG-UHFFFAOYSA-N
XLogP5.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4304394) is N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HQJLOJARRXJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-9-10-18(11-15(14)2)24-20-12-16(3)23-21-19(13-22-25(20)21)17-7-5-4-6-8-17/h4-13,24H,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4304394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).