[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol

C14H26N4O2 — CID 63060601

IUPAC[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCOCCNCc1c(C)nn(C)c1N1CCCC1CO
InChIInChI=1S/C14H26N4O2/c1-11-13(9-15-6-8-20-3)14(17(2)16-11)18-7-4-5-12(18)10-19/h12,15,19H,4-10H2,1-3H3
InChIKeyWKBJIVVKMQSZKL-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.43
Rot. Bonds7

About [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol

[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 63060601) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol
PubChem CID63060601
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCOCCNCc1c(C)nn(C)c1N1CCCC1CO
InChIInChI=1S/C14H26N4O2/c1-11-13(9-15-6-8-20-3)14(17(2)16-11)18-7-4-5-12(18)10-19/h12,15,19H,4-10H2,1-3H3
InChIKeyWKBJIVVKMQSZKL-UHFFFAOYSA-N
XLogP0.43
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol (CID 63060601) is [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol is COCCNCc1c(C)nn(C)c1N1CCCC1CO.
What is the InChIKey of [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is WKBJIVVKMQSZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11-13(9-15-6-8-20-3)14(17(2)16-11)18-7-4-5-12(18)10-19/h12,15,19H,4-10H2,1-3H3.
What are the key properties of [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol?
[1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 282.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63060601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).