3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C13H23N3O — CID 112639955

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1nn(C)cc1CNC1CC(O)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-10-9(8-16(4)15-10)7-14-11-6-12(17)13(11,2)3/h8,11-12,14,17H,5-7H2,1-4H3
InChIKeyKBXXLEXTZCBBFJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.23
Rot. Bonds4

About 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112639955) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112639955
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1nn(C)cc1CNC1CC(O)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-10-9(8-16(4)15-10)7-14-11-6-12(17)13(11,2)3/h8,11-12,14,17H,5-7H2,1-4H3
InChIKeyKBXXLEXTZCBBFJ-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 112550364
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977863
2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629012
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 112639955) is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is CCc1nn(C)cc1CNC1CC(O)C1(C)C.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is KBXXLEXTZCBBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10-9(8-16(4)15-10)7-14-11-6-12(17)13(11,2)3/h8,11-12,14,17H,5-7H2,1-4H3.
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112639955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).