(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol

C11H18N2O2 — CID 129433335

IUPAC(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol
SMILESOCC[C@@H](O)c1ccn(CC2CCC2)n1
InChIInChI=1S/C11H18N2O2/c14-7-5-11(15)10-4-6-13(12-10)8-9-2-1-3-9/h4,6,9,11,14-15H,1-3,5,7-8H2/t11-/m1/s1
InChIKeyMIDSQKNXBCSDQI-LLVKDONJSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds5

About (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol

(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol (PubChem CID 129433335) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol.

Molecular Properties

Compound Name(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol
PubChem CID129433335
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol
SMILESOCC[C@@H](O)c1ccn(CC2CCC2)n1
InChIInChI=1S/C11H18N2O2/c14-7-5-11(15)10-4-6-13(12-10)8-9-2-1-3-9/h4,6,9,11,14-15H,1-3,5,7-8H2/t11-/m1/s1
InChIKeyMIDSQKNXBCSDQI-LLVKDONJSA-N
XLogP1.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol?
The IUPAC name of (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol (CID 129433335) is (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol.
What is the SMILES notation for (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol?
The canonical SMILES for (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol is OCC[C@@H](O)c1ccn(CC2CCC2)n1.
What is the InChIKey of (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol?
The InChIKey is MIDSQKNXBCSDQI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-7-5-11(15)10-4-6-13(12-10)8-9-2-1-3-9/h4,6,9,11,14-15H,1-3,5,7-8H2/t11-/m1/s1.
What are the key properties of (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol?
(1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol has a molecular weight of 210.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(cyclobutylmethyl)pyrazol-3-yl]propane-1,3-diol is sourced from PubChem (CID 129433335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).