N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6 — CID 95888823

IUPACN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@H](Cn2ccnc2)c2ccccc2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-15(2)17-12-20(26-19(23-17)8-9-22-26)24-18(13-25-11-10-21-14-25)16-6-4-3-5-7-16/h3-12,14-15,18,24H,13H2,1-2H3/t18-/m1/s1
InChIKeyLLFNZTIHKPIOHM-GOSISDBHSA-N
MW346.44 g/mol
LogP3.90
Rot. Bonds6

About N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95888823) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95888823
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC NameN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@H](Cn2ccnc2)c2ccccc2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-15(2)17-12-20(26-19(23-17)8-9-22-26)24-18(13-25-11-10-21-14-25)16-6-4-3-5-7-16/h3-12,14-15,18,24H,13H2,1-2H3/t18-/m1/s1
InChIKeyLLFNZTIHKPIOHM-GOSISDBHSA-N
XLogP3.90
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895118
5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 56894137
5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56897885
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95714013
5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95891617
6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
5-propan-2-yl-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910842
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97279933

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95888823) is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(N[C@H](Cn2ccnc2)c2ccccc2)n2nccc2n1.
What is the InChIKey of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LLFNZTIHKPIOHM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6/c1-15(2)17-12-20(26-19(23-17)8-9-22-26)24-18(13-25-11-10-21-14-25)16-6-4-3-5-7-16/h3-12,14-15,18,24H,13H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95888823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).