2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol

C11H19N3O — CID 112633838

IUPAC2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCc1[nH]ncc1CNC1CC(O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-7-8(6-13-14-7)5-12-9-4-10(15)11(9,2)3/h6,9-10,12,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyODLWMTPWJZVHJD-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds3

About 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol (PubChem CID 112633838) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
PubChem CID112633838
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCc1[nH]ncc1CNC1CC(O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-7-8(6-13-14-7)5-12-9-4-10(15)11(9,2)3/h6,9-10,12,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyODLWMTPWJZVHJD-UHFFFAOYSA-N
XLogP0.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977863
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629007
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044557
(1S,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044555
(1S,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044556
(1R,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044558
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61003066
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629012

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol (CID 112633838) is 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol is Cc1[nH]ncc1CNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The InChIKey is ODLWMTPWJZVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-8(6-13-14-7)5-12-9-4-10(15)11(9,2)3/h6,9-10,12,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).