1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol

C12H23N3O — CID 109480929

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
SMILESCc1c(CNCC(O)CC(C)C)cnn1C
InChIInChI=1S/C12H23N3O/c1-9(2)5-12(16)8-13-6-11-7-14-15(4)10(11)3/h7,9,12-13,16H,5-6,8H2,1-4H3
InChIKeyKFHYOASAHOFMHC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.23
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol (PubChem CID 109480929) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
PubChem CID109480929
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
SMILESCc1c(CNCC(O)CC(C)C)cnn1C
InChIInChI=1S/C12H23N3O/c1-9(2)5-12(16)8-13-6-11-7-14-15(4)10(11)3/h7,9,12-13,16H,5-6,8H2,1-4H3
InChIKeyKFHYOASAHOFMHC-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 109482027
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol (CID 109480929) is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol is Cc1c(CNCC(O)CC(C)C)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The InChIKey is KFHYOASAHOFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)5-12(16)8-13-6-11-7-14-15(4)10(11)3/h7,9,12-13,16H,5-6,8H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 109480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).