1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one

C12H20ClN3O — CID 116562558

IUPAC1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C12H20ClN3O/c1-4-10-12(13)11(16(6-3)15-10)7-9(17)8-14-5-2/h14H,4-8H2,1-3H3
InChIKeyRGQQBTCAOTVMHA-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.84
Rot. Bonds7

About 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one

1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one (PubChem CID 116562558) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
PubChem CID116562558
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C12H20ClN3O/c1-4-10-12(13)11(16(6-3)15-10)7-9(17)8-14-5-2/h14H,4-8H2,1-3H3
InChIKeyRGQQBTCAOTVMHA-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562690
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
CID 116551505
7-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574846
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562485
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4,6,6-trimethylheptan-2-one
CID 115778561
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
CID 103458953
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589719

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one?
The IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one (CID 116562558) is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one is CCNCC(=O)Cc1c(Cl)c(CC)nn1CC.
What is the InChIKey of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one?
The InChIKey is RGQQBTCAOTVMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10-12(13)11(16(6-3)15-10)7-9(17)8-14-5-2/h14H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one?
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one has a molecular weight of 257.76 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one is sourced from PubChem (CID 116562558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).