5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol

C12H22N4O — CID 66053792

IUPAC5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCn1cccn1
InChIInChI=1S/C12H22N4O/c1-14(2)9-11-8-12(17)10-15(11)6-7-16-5-3-4-13-16/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyXWDMHWKWODDXBT-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.12
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol (PubChem CID 66053792) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
PubChem CID66053792
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCn1cccn1
InChIInChI=1S/C12H22N4O/c1-14(2)9-11-8-12(17)10-15(11)6-7-16-5-3-4-13-16/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyXWDMHWKWODDXBT-UHFFFAOYSA-N
XLogP-0.12
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.12
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-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol (CID 66053792) is 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCn1cccn1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
The InChIKey is XWDMHWKWODDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-14(2)9-11-8-12(17)10-15(11)6-7-16-5-3-4-13-16/h3-5,11-12,17H,6-10H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol has a molecular weight of 238.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 66053792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).