1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole

C15H18N2O — CID 141170968

IUPAC1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
SMILESc1cnn(Cc2ccc(COC3CCC3)cc2)c1
InChIInChI=1S/C15H18N2O/c1-3-15(4-1)18-12-14-7-5-13(6-8-14)11-17-10-2-9-16-17/h2,5-10,15H,1,3-4,11-12H2
InChIKeyVGJCASHLTFBOEM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.00
Rot. Bonds5

About 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole

1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole (PubChem CID 141170968) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
PubChem CID141170968
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
SMILESc1cnn(Cc2ccc(COC3CCC3)cc2)c1
InChIInChI=1S/C15H18N2O/c1-3-15(4-1)18-12-14-7-5-13(6-8-14)11-17-10-2-9-16-17/h2,5-10,15H,1,3-4,11-12H2
InChIKeyVGJCASHLTFBOEM-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
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[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-4-ol
CID 126674939
1-(cyclobutyloxymethyl)-4-iodobenzene
CID 65490740
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55810206
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
azane;cyclopentyloxymethylbenzene
CID 69411306

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole (CID 141170968) is 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole is c1cnn(Cc2ccc(COC3CCC3)cc2)c1.
What is the InChIKey of 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole?
The InChIKey is VGJCASHLTFBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-15(4-1)18-12-14-7-5-13(6-8-14)11-17-10-2-9-16-17/h2,5-10,15H,1,3-4,11-12H2.
What are the key properties of 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole?
1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole has a molecular weight of 242.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 141170968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).