4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one

C14H23N3O — CID 116559398

IUPAC4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCNC2CC2)n(CC)n1
InChIInChI=1S/C14H23N3O/c1-3-11-9-13(17(4-2)16-11)10-14(18)7-8-15-12-5-6-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeySKTWKEFWENGVBU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds8

About 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one

4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one (PubChem CID 116559398) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
PubChem CID116559398
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCNC2CC2)n(CC)n1
InChIInChI=1S/C14H23N3O/c1-3-11-9-13(17(4-2)16-11)10-14(18)7-8-15-12-5-6-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeySKTWKEFWENGVBU-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105111236
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555433
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587859

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The IUPAC name of 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one (CID 116559398) is 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one is CCc1cc(CC(=O)CCNC2CC2)n(CC)n1.
What is the InChIKey of 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The InChIKey is SKTWKEFWENGVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-9-13(17(4-2)16-11)10-14(18)7-8-15-12-5-6-12/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one is sourced from PubChem (CID 116559398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).