[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride

C12H17ClN4O — CID 121020669

IUPAC[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCc1cc2c(N3CCCC3CO)nccn2n1.Cl
InChIInChI=1S/C12H16N4O.ClH/c1-9-7-11-12(13-4-6-16(11)14-9)15-5-2-3-10(15)8-17;/h4,6-7,10,17H,2-3,5,8H2,1H3;1H
InChIKeyKTODCCMNJDZPNG-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.42
Rot. Bonds2

About [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride

[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 121020669) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID121020669
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCc1cc2c(N3CCCC3CO)nccn2n1.Cl
InChIInChI=1S/C12H16N4O.ClH/c1-9-7-11-12(13-4-6-16(11)14-9)15-5-2-3-10(15)8-17;/h4,6-7,10,17H,2-3,5,8H2,1H3;1H
InChIKeyKTODCCMNJDZPNG-UHFFFAOYSA-N
XLogP1.42
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride (CID 121020669) is [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride is Cc1cc2c(N3CCCC3CO)nccn2n1.Cl.
What is the InChIKey of [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is KTODCCMNJDZPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.ClH/c1-9-7-11-12(13-4-6-16(11)14-9)15-5-2-3-10(15)8-17;/h4,6-7,10,17H,2-3,5,8H2,1H3;1H.
What are the key properties of [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride?
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 268.75 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 121020669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).