[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C14H21N5O — CID 91795090

IUPAC[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nccn1CCCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C14H21N5O/c1-12-15-3-6-18(12)5-2-4-17-7-8-19-14(10-17)9-13(11-20)16-19/h3,6,9,20H,2,4-5,7-8,10-11H2,1H3
InChIKeyUHJDMEBKPKPBES-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.79
Rot. Bonds5

About [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91795090) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91795090
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nccn1CCCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C14H21N5O/c1-12-15-3-6-18(12)5-2-4-17-7-8-19-14(10-17)9-13(11-20)16-19/h3,6,9,20H,2,4-5,7-8,10-11H2,1H3
InChIKeyUHJDMEBKPKPBES-UHFFFAOYSA-N
XLogP0.79
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91795090) is [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1nccn1CCCN1CCn2nc(CO)cc2C1.
What is the InChIKey of [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is UHJDMEBKPKPBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-12-15-3-6-18(12)5-2-4-17-7-8-19-14(10-17)9-13(11-20)16-19/h3,6,9,20H,2,4-5,7-8,10-11H2,1H3.
What are the key properties of [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 275.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91795090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).