3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one

C15H25N3O2 — CID 146085397

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)CC(C)c2c(C)n[nH]c2C)CC1O
InChIInChI=1S/C15H25N3O2/c1-5-12-7-18(8-13(12)19)14(20)6-9(2)15-10(3)16-17-11(15)4/h9,12-13,19H,5-8H2,1-4H3,(H,16,17)
InChIKeyAMTGFQINBAELGK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.75
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one (PubChem CID 146085397) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one
PubChem CID146085397
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)CC(C)c2c(C)n[nH]c2C)CC1O
InChIInChI=1S/C15H25N3O2/c1-5-12-7-18(8-13(12)19)14(20)6-9(2)15-10(3)16-17-11(15)4/h9,12-13,19H,5-8H2,1-4H3,(H,16,17)
InChIKeyAMTGFQINBAELGK-UHFFFAOYSA-N
XLogP1.75
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 110108975
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}methanol
CID 70776655
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
(3R*,4R*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72843767
(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-hydroxy-N,4-dimethylpentanamide
CID 77090336
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 84594669
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-prop-2-enoxypyrrolidin-1-yl)butan-1-one
CID 84600328
trans-1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethoxypyrrolidin-3-ol
CID 91777202
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)butan-1-one
CID 99702616
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 112114443

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one (CID 146085397) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one is CCC1CN(C(=O)CC(C)c2c(C)n[nH]c2C)CC1O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one?
The InChIKey is AMTGFQINBAELGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-12-7-18(8-13(12)19)14(20)6-9(2)15-10(3)16-17-11(15)4/h9,12-13,19H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one has a molecular weight of 279.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 146085397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).