N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H21N7 — CID 95719174

IUPACN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ncnn1CC
InChIInChI=1S/C19H21N7/c1-3-15(19-20-13-22-25(19)4-2)23-18-12-16(14-8-6-5-7-9-14)24-17-10-11-21-26(17)18/h5-13,15,23H,3-4H2,1-2H3/t15-/m1/s1
InChIKeyXLPXBJFSZIXXSU-OAHLLOKOSA-N
MW347.43 g/mol
LogP3.57
Rot. Bonds6

About N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95719174) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95719174
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ncnn1CC
InChIInChI=1S/C19H21N7/c1-3-15(19-20-13-22-25(19)4-2)23-18-12-16(14-8-6-5-7-9-14)24-17-10-11-21-26(17)18/h5-13,15,23H,3-4H2,1-2H3/t15-/m1/s1
InChIKeyXLPXBJFSZIXXSU-OAHLLOKOSA-N
XLogP3.57
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95895895
5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896744
5-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863142
5-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863143
5-(4-fluorophenyl)-N-(1-pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918481
5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95712908
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
CID 70722404
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
N-[1-(1H-imidazol-2-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 129284743

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95719174) is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ncnn1CC.
What is the InChIKey of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XLPXBJFSZIXXSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-15(19-20-13-22-25(19)4-2)23-18-12-16(14-8-6-5-7-9-14)24-17-10-11-21-26(17)18/h5-13,15,23H,3-4H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95719174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).