[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C14H24N4O2 — CID 66120281

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18-13(6-10(2)15-18)14(20)17-9-12(19)7-11(17)8-16(3)4/h6,11-12,19H,5,7-9H2,1-4H3
InChIKeyBWVXOYACMZLPLO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.35
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 66120281) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID66120281
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18-13(6-10(2)15-18)14(20)17-9-12(19)7-11(17)8-16(3)4/h6,11-12,19H,5,7-9H2,1-4H3
InChIKeyBWVXOYACMZLPLO-UHFFFAOYSA-N
XLogP0.35
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 115491804
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 66054860
(5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056446
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 66053923
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 66054865
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-fluoro-5-sulfanylphenyl)methanone
CID 107031692
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107031700

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 66120281) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is BWVXOYACMZLPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-18-13(6-10(2)15-18)14(20)17-9-12(19)7-11(17)8-16(3)4/h6,11-12,19H,5,7-9H2,1-4H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 66120281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).