(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol

C18H21N5O2 — CID 95889436

IUPAC(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccccc1)Cn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C18H21N5O2/c24-15(13-25-16-4-2-1-3-5-16)12-22-8-7-20-18(22)17-10-14-11-19-6-9-23(14)21-17/h1-5,7-8,10,15,19,24H,6,9,11-13H2/t15-/m1/s1
InChIKeyJQRXDNJYPRXVNV-OAHLLOKOSA-N
MW339.40 g/mol
LogP1.29
Rot. Bonds6

About (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol

(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol (PubChem CID 95889436) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
PubChem CID95889436
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccccc1)Cn1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C18H21N5O2/c24-15(13-25-16-4-2-1-3-5-16)12-22-8-7-20-18(22)17-10-14-11-19-6-9-23(14)21-17/h1-5,7-8,10,15,19,24H,6,9,11-13H2/t15-/m1/s1
InChIKeyJQRXDNJYPRXVNV-OAHLLOKOSA-N
XLogP1.29
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 70744871
(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
CID 95873065
2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70709789
(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
CID 95867093
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70777947
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70787072
1-(2-nitroimidazol-1-yl)-3-phenoxypropan-2-ol
CID 23275096
1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411455

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol (CID 95889436) is (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol is O[C@@H](COc1ccccc1)Cn1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
The InChIKey is JQRXDNJYPRXVNV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-15(13-25-16-4-2-1-3-5-16)12-22-8-7-20-18(22)17-10-14-11-19-6-9-23(14)21-17/h1-5,7-8,10,15,19,24H,6,9,11-13H2/t15-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol?
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol has a molecular weight of 339.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 95889436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).