(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol

C12H17N3O — CID 91790243

IUPAC(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol
SMILESCCC#CCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C12H17N3O/c1-2-3-4-5-14-6-7-15-12(9-14)8-11(10-16)13-15/h8,16H,2,5-7,9-10H2,1H3
InChIKeyMCZXIEKYLRPQBK-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.60
Rot. Bonds2

About (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol

(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol (PubChem CID 91790243) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol.

Molecular Properties

Compound Name(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol
PubChem CID91790243
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol
SMILESCCC#CCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C12H17N3O/c1-2-3-4-5-14-6-7-15-12(9-14)8-11(10-16)13-15/h8,16H,2,5-7,9-10H2,1H3
InChIKeyMCZXIEKYLRPQBK-UHFFFAOYSA-N
XLogP0.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile
CID 91796024
[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91761102
[5-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91793262
2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetic acid
CID 91797814
[5-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90648502
[5-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649431
[5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91774085
[5-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91777533
[5-[(4-cyclopentyloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91767699
[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91767903
2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylic acid
CID 176895954
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-pyrrol-1-ylpropan-1-one
CID 90653919

Frequently Asked Questions

What is the IUPAC name of (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol?
The IUPAC name of (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol (CID 91790243) is (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol.
What is the SMILES notation for (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol?
The canonical SMILES for (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol is CCC#CCN1CCn2nc(CO)cc2C1.
What is the InChIKey of (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol?
The InChIKey is MCZXIEKYLRPQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-3-4-5-14-6-7-15-12(9-14)8-11(10-16)13-15/h8,16H,2,5-7,9-10H2,1H3.
What are the key properties of (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol?
(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol has a molecular weight of 219.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol is sourced from PubChem (CID 91790243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).