(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol

C18H26N4O — CID 136905643

IUPAC(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
SMILESCc1cc2n(n1)C[C@H](CNCC(CO)Cc1ccccc1)CN2
InChIInChI=1S/C18H26N4O/c1-14-7-18-20-11-17(12-22(18)21-14)10-19-9-16(13-23)8-15-5-3-2-4-6-15/h2-7,16-17,19-20,23H,8-13H2,1H3/t16?,17-/m1/s1
InChIKeyXLBCXJRCWRQPLY-ZYMOGRSISA-N
MW314.43 g/mol
LogP1.67
Rot. Bonds7

About (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol

(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol (PubChem CID 136905643) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
PubChem CID136905643
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
SMILESCc1cc2n(n1)C[C@H](CNCC(CO)Cc1ccccc1)CN2
InChIInChI=1S/C18H26N4O/c1-14-7-18-20-11-17(12-22(18)21-14)10-19-9-16(13-23)8-15-5-3-2-4-6-15/h2-7,16-17,19-20,23H,8-13H2,1H3/t16?,17-/m1/s1
InChIKeyXLBCXJRCWRQPLY-ZYMOGRSISA-N
XLogP1.67
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol?
The IUPAC name of (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol (CID 136905643) is (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol is Cc1cc2n(n1)C[C@H](CNCC(CO)Cc1ccccc1)CN2.
What is the InChIKey of (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol?
The InChIKey is XLBCXJRCWRQPLY-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-7-18-20-11-17(12-22(18)21-14)10-19-9-16(13-23)8-15-5-3-2-4-6-15/h2-7,16-17,19-20,23H,8-13H2,1H3/t16?,17-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol?
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol is sourced from PubChem (CID 136905643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).