1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol

C11H18N2O — CID 130601550

IUPAC1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CC2(C)CCC2)c1
InChIInChI=1S/C11H18N2O/c1-9(14)10-6-12-13(7-10)8-11(2)4-3-5-11/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyPEARBRDUQLMSOP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol

1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol (PubChem CID 130601550) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol
PubChem CID130601550
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CC2(C)CCC2)c1
InChIInChI=1S/C11H18N2O/c1-9(14)10-6-12-13(7-10)8-11(2)4-3-5-11/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyPEARBRDUQLMSOP-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]boronic acid
CID 164651772
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol
CID 130601818
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 55109223
1-[(1-methylcyclopropyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 67812664
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 107053748
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol (CID 130601550) is 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(CC2(C)CCC2)c1.
What is the InChIKey of 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is PEARBRDUQLMSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(14)10-6-12-13(7-10)8-11(2)4-3-5-11/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol?
1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 194.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 130601550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).