1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol

C12H20N2O — CID 103564494

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)C1
InChIInChI=1S/C12H20N2O/c1-4-14-11(5-10(3)13-14)8-12(15)6-9(2)7-12/h5,9,15H,4,6-8H2,1-3H3
InChIKeyTUBWHOPPMGBPJJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol (PubChem CID 103564494) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
PubChem CID103564494
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)C1
InChIInChI=1S/C12H20N2O/c1-4-14-11(5-10(3)13-14)8-12(15)6-9(2)7-12/h5,9,15H,4,6-8H2,1-3H3
InChIKeyTUBWHOPPMGBPJJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 80561107
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol
CID 81468548
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999349
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315459
5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
CID 66034904
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114510495
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049499
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81115265
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
CID 106780178

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol (CID 103564494) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol is CCn1nc(C)cc1CC1(O)CC(C)C1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is TUBWHOPPMGBPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14-11(5-10(3)13-14)8-12(15)6-9(2)7-12/h5,9,15H,4,6-8H2,1-3H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).