(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

C20H22N4O — CID 99977570

IUPAC(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCc1ncccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1
InChIInChI=1S/C20H22N4O/c1-15-17(8-5-9-21-15)13-23-10-11-24-18(14-23)12-19(22-24)20(25)16-6-3-2-4-7-16/h2-9,12,20,25H,10-11,13-14H2,1H3/t20-/m1/s1
InChIKeyOAZYICMPTLMFOS-HXUWFJFHSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds4

About (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (PubChem CID 99977570) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
PubChem CID99977570
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCc1ncccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1
InChIInChI=1S/C20H22N4O/c1-15-17(8-5-9-21-15)13-23-10-11-24-18(14-23)12-19(22-24)20(25)16-6-3-2-4-7-16/h2-9,12,20,25H,10-11,13-14H2,1H3/t20-/m1/s1
InChIKeyOAZYICMPTLMFOS-HXUWFJFHSA-N
XLogP2.68
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91771840
(S)-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
CID 99994599
3-ethylsulfanyl-1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 90649418
(R)-[5-[(5-chlorothiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
CID 99978014
2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-phenylethanol
CID 91835285
phenyl-[5-[(E)-3-phenylprop-2-enyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90650546
1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 91785151
5-[(2-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048262
[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91786319
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
CID 90653864
(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 99973905
[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91795425

Frequently Asked Questions

What is the IUPAC name of (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (CID 99977570) is (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is Cc1ncccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1.
What is the InChIKey of (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The InChIKey is OAZYICMPTLMFOS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-17(8-5-9-21-15)13-23-10-11-24-18(14-23)12-19(22-24)20(25)16-6-3-2-4-7-16/h2-9,12,20,25H,10-11,13-14H2,1H3/t20-/m1/s1.
What are the key properties of (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol has a molecular weight of 334.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is sourced from PubChem (CID 99977570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).