4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C26H25N3 — CID 134805841

IUPAC4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C26H25N3/c1-20-25(24-16-9-8-15-23(24)22-13-6-3-7-14-22)26-28(17-10-18-29(26)27-20)19-21-11-4-2-5-12-21/h2-9,11-16H,10,17-19H2,1H3
InChIKeyRKQKVOFZUQNTHL-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.94
Rot. Bonds4

About 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134805841) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134805841
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccccc1)CCC2
InChIInChI=1S/C26H25N3/c1-20-25(24-16-9-8-15-23(24)22-13-6-3-7-14-22)26-28(17-10-18-29(26)27-20)19-21-11-4-2-5-12-21/h2-9,11-16H,10,17-19H2,1H3
InChIKeyRKQKVOFZUQNTHL-UHFFFAOYSA-N
XLogP5.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134805841) is 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccccc1)CCC2.
What is the InChIKey of 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is RKQKVOFZUQNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-20-25(24-16-9-8-15-23(24)22-13-6-3-7-14-22)26-28(17-10-18-29(26)27-20)19-21-11-4-2-5-12-21/h2-9,11-16H,10,17-19H2,1H3.
What are the key properties of 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.51 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).