4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C23H26FN3 — CID 134806173

IUPAC4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1C(C)C)N(Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C23H26FN3/c1-16(2)20-7-4-5-8-21(20)22-17(3)25-27-14-6-13-26(23(22)27)15-18-9-11-19(24)12-10-18/h4-5,7-12,16H,6,13-15H2,1-3H3
InChIKeyNELNRDMKWFTVRY-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.53
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134806173) has the molecular formula C23H26FN3 and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134806173
Molecular FormulaC23H26FN3
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1C(C)C)N(Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C23H26FN3/c1-16(2)20-7-4-5-8-21(20)22-17(3)25-27-14-6-13-26(23(22)27)15-18-9-11-19(24)12-10-18/h4-5,7-12,16H,6,13-15H2,1-3H3
InChIKeyNELNRDMKWFTVRY-UHFFFAOYSA-N
XLogP5.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134806173) is 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1C(C)C)N(Cc1ccc(F)cc1)CCC2.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is NELNRDMKWFTVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3/c1-16(2)20-7-4-5-8-21(20)22-17(3)25-27-14-6-13-26(23(22)27)15-18-9-11-19(24)12-10-18/h4-5,7-12,16H,6,13-15H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.48 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).