(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol

C18H22N4O — CID 95897748

IUPAC(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCc1cc(N(C)CC[C@@H](O)c2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C18H22N4O/c1-13-12-18(22-17(19-13)11-14(2)20-22)21(3)10-9-16(23)15-7-5-4-6-8-15/h4-8,11-12,16,23H,9-10H2,1-3H3/t16-/m1/s1
InChIKeyIXGGKBDQHTVODB-MRXNPFEDSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds5

About (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol

(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 95897748) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID95897748
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCc1cc(N(C)CC[C@@H](O)c2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C18H22N4O/c1-13-12-18(22-17(19-13)11-14(2)20-22)21(3)10-9-16(23)15-7-5-4-6-8-15/h4-8,11-12,16,23H,9-10H2,1-3H3/t16-/m1/s1
InChIKeyIXGGKBDQHTVODB-MRXNPFEDSA-N
XLogP2.91
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol with MolForge

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Related Compounds

(1S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
CID 95891447
N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70765387
2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142648104
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 72937417
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
CID 11687687
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 97113424

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol (CID 95897748) is (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol is Cc1cc(N(C)CC[C@@H](O)c2ccccc2)n2nc(C)cc2n1.
What is the InChIKey of (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is IXGGKBDQHTVODB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-12-18(22-17(19-13)11-14(2)20-22)21(3)10-9-16(23)15-7-5-4-6-8-15/h4-8,11-12,16,23H,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol?
(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 95897748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).