4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol

C13H25N3O — CID 62625333

IUPAC4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(17)6-7-15(4)9-11-8-14-16(5)10-11/h8,10,12,17H,6-7,9H2,1-5H3
InChIKeyZOPLIPDKXPBWIO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds5

About 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol

4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol (PubChem CID 62625333) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
PubChem CID62625333
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(17)6-7-15(4)9-11-8-14-16(5)10-11/h8,10,12,17H,6-7,9H2,1-5H3
InChIKeyZOPLIPDKXPBWIO-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
2,2-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanethioamide
CID 65249255
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol (CID 62625333) is 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol is CN(CCC(O)C(C)(C)C)Cc1cnn(C)c1.
What is the InChIKey of 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol?
The InChIKey is ZOPLIPDKXPBWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)12(17)6-7-15(4)9-11-8-14-16(5)10-11/h8,10,12,17H,6-7,9H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol?
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol is sourced from PubChem (CID 62625333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).