4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol

C26H25N3O — CID 134807663

IUPAC4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccc(O)cc1)CCC2
InChIInChI=1S/C26H25N3O/c1-19-25(24-11-6-5-10-23(24)21-8-3-2-4-9-21)26-28(16-7-17-29(26)27-19)18-20-12-14-22(30)15-13-20/h2-6,8-15,30H,7,16-18H2,1H3
InChIKeyVMTLEOVJWLCMHS-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.64
Rot. Bonds4

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

4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (PubChem CID 134807663) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
PubChem CID134807663
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccc(O)cc1)CCC2
InChIInChI=1S/C26H25N3O/c1-19-25(24-11-6-5-10-23(24)21-8-3-2-4-9-21)26-28(16-7-17-29(26)27-19)18-20-12-14-22(30)15-13-20/h2-6,8-15,30H,7,16-18H2,1H3
InChIKeyVMTLEOVJWLCMHS-UHFFFAOYSA-N
XLogP5.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol with MolForge

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Related Compounds

2-[4-[[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenoxy]acetic acid
CID 134810064
2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134808572
4-[3-[2-methyl-4-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
CID 134805785
6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
CID 158677677
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 134370026
methyl 4-[(1S)-1-[[1-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 157437785
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 159527424
1,3-dibenzyl-5-hydroxy-4-[(4-hydroxyphenyl)methyl]-1,3-diazepan-2-one;4-methylphenol
CID 142959508
4-(hydroxymethyl)phenol;phenol
CID 141229785
[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
CID 102580261

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (CID 134807663) is 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1ccc(O)cc1)CCC2.
What is the InChIKey of 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The InChIKey is VMTLEOVJWLCMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-25(24-11-6-5-10-23(24)21-8-3-2-4-9-21)26-28(16-7-17-29(26)27-19)18-20-12-14-22(30)15-13-20/h2-6,8-15,30H,7,16-18H2,1H3.
What are the key properties of 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol has a molecular weight of 395.51 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is sourced from PubChem (CID 134807663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).