(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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Related Compounds

4-(1-methyl-1H-pyrazol-5-yl)oxan-4-ol
CID 63960719
(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
1-(1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
CID 121553424
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
(1S)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258265
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanol
CID 122155892
2,2,2-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-ol
CID 58297055

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).