(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C18H22N4O — CID 95881167

IUPAC(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCc1cc(N[C@H](CCO)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H22N4O/c1-12-11-17(22-18(19-12)13(2)14(3)21-22)20-16(9-10-23)15-7-5-4-6-8-15/h4-8,11,16,20,23H,9-10H2,1-3H3/t16-/m1/s1
InChIKeyPNAALIKSVYIFRF-MRXNPFEDSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds5

About (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 95881167) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID95881167
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCc1cc(N[C@H](CCO)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H22N4O/c1-12-11-17(22-18(19-12)13(2)14(3)21-22)20-16(9-10-23)15-7-5-4-6-8-15/h4-8,11,16,20,23H,9-10H2,1-3H3/t16-/m1/s1
InChIKeyPNAALIKSVYIFRF-MRXNPFEDSA-N
XLogP3.19
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol with MolForge

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Related Compounds

(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164
2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896531
2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95871017
(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
CID 95867432
N-[(1R)-1-(furan-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95870518
4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
CID 95868311
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95874013
2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 56906125
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
CID 56884809

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 95881167) is (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is Cc1cc(N[C@H](CCO)c2ccccc2)n2nc(C)c(C)c2n1.
What is the InChIKey of (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is PNAALIKSVYIFRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-11-17(22-18(19-12)13(2)14(3)21-22)20-16(9-10-23)15-7-5-4-6-8-15/h4-8,11,16,20,23H,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 95881167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).