1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one

C16H26N2O2 — CID 103167885

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccn(C(C)CC)n2)C1
InChIInChI=1S/C16H26N2O2/c1-4-12(3)18-7-6-14(17-18)11-15(19)8-13-9-16(10-13)20-5-2/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyFRLHOJIUMDICDA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.17
Rot. Bonds8

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one

1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one (PubChem CID 103167885) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one
PubChem CID103167885
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccn(C(C)CC)n2)C1
InChIInChI=1S/C16H26N2O2/c1-4-12(3)18-7-6-14(17-18)11-15(19)8-13-9-16(10-13)20-5-2/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyFRLHOJIUMDICDA-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(dimethylamino)propan-2-one
CID 79078118
1-(1-butan-2-ylpyrazol-3-yl)-5-methoxyhexan-2-one
CID 105105528
1-(1-butan-2-ylpyrazol-3-yl)-4-(methylamino)butan-2-one
CID 116561039
1-(4-aminophenyl)-3-(1-butan-2-ylpyrazol-3-yl)propan-2-one
CID 116549421
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-chlorophenyl)propan-2-one
CID 64783913
1-(1-butan-2-ylpyrazol-3-yl)-4-(propan-2-ylamino)butan-2-one
CID 116556354
1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 103453597
1-(1-butan-2-ylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103446393
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114975551
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxyhexan-2-one
CID 116707987
1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one (CID 103167885) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one is CCOC1CC(CC(=O)Cc2ccn(C(C)CC)n2)C1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The InChIKey is FRLHOJIUMDICDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12(3)18-7-6-14(17-18)11-15(19)8-13-9-16(10-13)20-5-2/h6-7,12-13,16H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one has a molecular weight of 278.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103167885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).