5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

C16H30N4O — CID 66051676

IUPAC5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCC(CC)n1ccc(CN2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C16H30N4O/c1-5-14(6-2)20-8-7-13(17-20)10-19-12-16(21)9-15(19)11-18(3)4/h7-8,14-16,21H,5-6,9-12H2,1-4H3
InChIKeyZOEMMHWEQUYARI-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.74
Rot. Bonds7

About 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 66051676) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID66051676
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCC(CC)n1ccc(CN2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C16H30N4O/c1-5-14(6-2)20-8-7-13(17-20)10-19-12-16(21)9-15(19)11-18(3)4/h7-8,14-16,21H,5-6,9-12H2,1-4H3
InChIKeyZOEMMHWEQUYARI-UHFFFAOYSA-N
XLogP1.74
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 66051676) is 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is CCC(CC)n1ccc(CN2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ZOEMMHWEQUYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-14(6-2)20-8-7-13(17-20)10-19-12-16(21)9-15(19)11-18(3)4/h7-8,14-16,21H,5-6,9-12H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 294.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).