2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one

C14H25N3O — CID 79054130

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

About 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one

2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one (PubChem CID 79054130) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
PubChem CID79054130
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
SMILESCCCn1cc(C(=O)C(C)(C)N(CC)CC)cn1
InChIInChI=1S/C14H25N3O/c1-6-9-17-11-12(10-15-17)13(18)14(4,5)16(7-2)8-3/h10-11H,6-9H2,1-5H3
InChIKeyHYFCCXACXBSRLQ-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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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
2,2,2-trifluoro-1-(1-nonylpyrazol-4-yl)ethanone
CID 63754418
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one (CID 79054130) is 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one is CCCn1cc(C(=O)C(C)(C)N(CC)CC)cn1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
The InChIKey is HYFCCXACXBSRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-9-17-11-12(10-15-17)13(18)14(4,5)16(7-2)8-3/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-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-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 79054130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).