2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one

C14H25N3O — CID 79060967

IUPAC2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
SMILESCCCn1cc(C(=O)C(CC)(CC)N(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-6-9-17-11-12(10-15-17)13(18)14(7-2,8-3)16(4)5/h10-11H,6-9H2,1-5H3
InChIKeyFARPUCRSMTZJQA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.60
Rot. Bonds7

About 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one

2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one (PubChem CID 79060967) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
PubChem CID79060967
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
SMILESCCCn1cc(C(=O)C(CC)(CC)N(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-6-9-17-11-12(10-15-17)13(18)14(7-2,8-3)16(4)5/h10-11H,6-9H2,1-5H3
InChIKeyFARPUCRSMTZJQA-UHFFFAOYSA-N
XLogP2.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one (CID 79060967) is 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one is CCCn1cc(C(=O)C(CC)(CC)N(C)C)cn1.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one?
The InChIKey is FARPUCRSMTZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-9-17-11-12(10-15-17)13(18)14(7-2,8-3)16(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one?
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one is sourced from PubChem (CID 79060967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).