3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C26H22N4 — CID 34956849

IUPAC3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12)c1ccccc1
InChIInChI=1S/C26H22N4/c1-19(20-11-5-2-6-12-20)28-25-17-24(22-15-9-4-10-16-22)29-26-23(18-27-30(25)26)21-13-7-3-8-14-21/h2-19,28H,1H3/t19-/m0/s1
InChIKeyMCHZLUBZJZFAAJ-IBGZPJMESA-N
MW390.49 g/mol
LogP6.24
Rot. Bonds5

About 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 34956849) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID34956849
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12)c1ccccc1
InChIInChI=1S/C26H22N4/c1-19(20-11-5-2-6-12-20)28-25-17-24(22-15-9-4-10-16-22)29-26-23(18-27-30(25)26)21-13-7-3-8-14-21/h2-19,28H,1H3/t19-/m0/s1
InChIKeyMCHZLUBZJZFAAJ-IBGZPJMESA-N
XLogP6.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893914
methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468
5-tert-butyl-N-(3,4-dichlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2036160
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
CID 177044949

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 34956849) is 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is C[C@H](Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12)c1ccccc1.
What is the InChIKey of 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MCHZLUBZJZFAAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H22N4/c1-19(20-11-5-2-6-12-20)28-25-17-24(22-15-9-4-10-16-22)29-26-23(18-27-30(25)26)21-13-7-3-8-14-21/h2-19,28H,1H3/t19-/m0/s1.
What are the key properties of 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.49 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 34956849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).