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

C14H21N5O2 — CID 91792108

IUPAC[5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCOCCn1cncc1CN1CCn2nc(CO)cc2C1
InChIInChI=1S/C14H21N5O2/c1-21-5-4-18-11-15-7-14(18)9-17-2-3-19-13(8-17)6-12(10-20)16-19/h6-7,11,20H,2-5,8-10H2,1H3
InChIKeyBTLIBKLVNKGNHZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.23
Rot. Bonds6

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

[5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91792108) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91792108
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name[5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCOCCn1cncc1CN1CCn2nc(CO)cc2C1
InChIInChI=1S/C14H21N5O2/c1-21-5-4-18-11-15-7-14(18)9-17-2-3-19-13(8-17)6-12(10-20)16-19/h6-7,11,20H,2-5,8-10H2,1H3
InChIKeyBTLIBKLVNKGNHZ-UHFFFAOYSA-N
XLogP0.23
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91792108) is [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is COCCn1cncc1CN1CCn2nc(CO)cc2C1.
What is the InChIKey of [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is BTLIBKLVNKGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-21-5-4-18-11-15-7-14(18)9-17-2-3-19-13(8-17)6-12(10-20)16-19/h6-7,11,20H,2-5,8-10H2,1H3.
What are the key properties of [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 291.36 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91792108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).