1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol

C12H23N3O — CID 109481950

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCc1nn(C)cc1CNCC(C)(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-9(2)12(4,16)8-13-6-11-7-15(5)14-10(11)3/h7,9,13,16H,6,8H2,1-5H3
InChIKeyBBTHUZGFALHAON-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.23
Rot. Bonds5

About 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 109481950) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID109481950
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCc1nn(C)cc1CNCC(C)(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-9(2)12(4,16)8-13-6-11-7-15(5)14-10(11)3/h7,9,13,16H,6,8H2,1-5H3
InChIKeyBBTHUZGFALHAON-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
CID 112738020
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-propan-2-ylpropanamide
CID 112705218
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 109481950) is 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol is Cc1nn(C)cc1CNCC(C)(O)C(C)C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is BBTHUZGFALHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)12(4,16)8-13-6-11-7-15(5)14-10(11)3/h7,9,13,16H,6,8H2,1-5H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 109481950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).