3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one

C13H22N2O2 — CID 103447034

IUPAC3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-5-13(17,6-2)12(16)9-11-7-8-15(14-11)10(3)4/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyRLTWKXDCCHLBER-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.13
Rot. Bonds6

About 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one

3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one (PubChem CID 103447034) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
PubChem CID103447034
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-5-13(17,6-2)12(16)9-11-7-8-15(14-11)10(3)4/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyRLTWKXDCCHLBER-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116566073
4-amino-3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116600015
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one (CID 103447034) is 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one is CCC(O)(CC)C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one?
The InChIKey is RLTWKXDCCHLBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(17,6-2)12(16)9-11-7-8-15(14-11)10(3)4/h7-8,10,17H,5-6,9H2,1-4H3.
What are the key properties of 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one?
3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 103447034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).