(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

C11H21N3O — CID 79249482

IUPAC(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCc1cc(CN[C@H](CO)C(C)C)n(C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)11(7-15)12-6-10-5-9(3)13-14(10)4/h5,8,11-12,15H,6-7H2,1-4H3/t11-/m1/s1
InChIKeyCAVMIHQMNDVEJL-LLVKDONJSA-N
MW211.31 g/mol
LogP0.84
Rot. Bonds5

About (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 79249482) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
PubChem CID79249482
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCc1cc(CN[C@H](CO)C(C)C)n(C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)11(7-15)12-6-10-5-9(3)13-14(10)4/h5,8,11-12,15H,6-7H2,1-4H3/t11-/m1/s1
InChIKeyCAVMIHQMNDVEJL-LLVKDONJSA-N
XLogP0.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160757
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
CID 114986524
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79025656
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106229374
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (CID 79249482) is (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is Cc1cc(CN[C@H](CO)C(C)C)n(C)n1.
What is the InChIKey of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is CAVMIHQMNDVEJL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)11(7-15)12-6-10-5-9(3)13-14(10)4/h5,8,11-12,15H,6-7H2,1-4H3/t11-/m1/s1.
What are the key properties of (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79249482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).