4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol

C13H25N3O — CID 61246554

IUPAC4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(C)c(C)c1CNC(CO)CC(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)6-12(8-17)14-7-13-10(3)15-16(5)11(13)4/h9,12,14,17H,6-8H2,1-5H3
InChIKeyLEKKBLGGVSNMFC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.53
Rot. Bonds6

About 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol

4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 61246554) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID61246554
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(C)c(C)c1CNC(CO)CC(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)6-12(8-17)14-7-13-10(3)15-16(5)11(13)4/h9,12,14,17H,6-8H2,1-5H3
InChIKeyLEKKBLGGVSNMFC-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol (CID 61246554) is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol is Cc1nn(C)c(C)c1CNC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is LEKKBLGGVSNMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)6-12(8-17)14-7-13-10(3)15-16(5)11(13)4/h9,12,14,17H,6-8H2,1-5H3.
What are the key properties of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol?
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 61246554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).