1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C13H22N4O2 — CID 66052384

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCn1cccn1
InChIInChI=1S/C13H22N4O2/c1-15(2)9-11-8-12(18)10-17(11)13(19)4-7-16-6-3-5-14-16/h3,5-6,11-12,18H,4,7-10H2,1-2H3
InChIKeyBAKFPCUGTDAJJG-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.20
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 66052384) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID66052384
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCn1cccn1
InChIInChI=1S/C13H22N4O2/c1-15(2)9-11-8-12(18)10-17(11)13(19)4-7-16-6-3-5-14-16/h3,5-6,11-12,18H,4,7-10H2,1-2H3
InChIKeyBAKFPCUGTDAJJG-UHFFFAOYSA-N
XLogP-0.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66051208
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 66053792
5-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentan-1-one
CID 66056594
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pent-4-en-1-one
CID 66051985
7-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]heptan-1-one
CID 66055629
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 66053351
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
CID 63763456
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 66052384) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is CN(C)CC1CC(O)CN1C(=O)CCn1cccn1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is BAKFPCUGTDAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15(2)9-11-8-12(18)10-17(11)13(19)4-7-16-6-3-5-14-16/h3,5-6,11-12,18H,4,7-10H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 66052384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).