(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

C17H27N5O2 — CID 99999208

IUPAC(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2
InChIInChI=1S/C17H27N5O2/c1-4-17(24)16-9-14-10-20(5-6-22(14)19-16)11-15-12(2)18-21(7-8-23)13(15)3/h9,17,23-24H,4-8,10-11H2,1-3H3/t17-/m0/s1
InChIKeyFFOVMMVBURGTMF-KRWDZBQOSA-N
MW333.44 g/mol
LogP1.15
Rot. Bonds6

About (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (PubChem CID 99999208) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
PubChem CID99999208
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2
InChIInChI=1S/C17H27N5O2/c1-4-17(24)16-9-14-10-20(5-6-22(14)19-16)11-15-12(2)18-21(7-8-23)13(15)3/h9,17,23-24H,4-8,10-11H2,1-3H3/t17-/m0/s1
InChIKeyFFOVMMVBURGTMF-KRWDZBQOSA-N
XLogP1.15
TPSA79.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol with MolForge

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Related Compounds

1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91778778
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
(1R)-1-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99998546
(1R)-1-[5-[(1-benzylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99974613
1-[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650107
N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118791369
1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650070
N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 110905588
(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
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
2-(4,5-dimethylimidazol-1-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90653751
1-[5-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91771597

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (CID 99999208) is (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is CC[C@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2.
What is the InChIKey of (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The InChIKey is FFOVMMVBURGTMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-17(24)16-9-14-10-20(5-6-22(14)19-16)11-15-12(2)18-21(7-8-23)13(15)3/h9,17,23-24H,4-8,10-11H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol has a molecular weight of 333.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 99999208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).