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

C10H16ClN3O — CID 116548422

IUPAC1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
SMILESCCc1nn(CC)c(CC(=O)CN)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-3-8-10(11)9(5-7(15)6-12)14(4-2)13-8/h3-6,12H2,1-2H3
InChIKeyYFQYGWWIRLVPLT-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.19
Rot. Bonds5

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

1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one (PubChem CID 116548422) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
PubChem CID116548422
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
SMILESCCc1nn(CC)c(CC(=O)CN)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-3-8-10(11)9(5-7(15)6-12)14(4-2)13-8/h3-6,12H2,1-2H3
InChIKeyYFQYGWWIRLVPLT-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
CID 116551505
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562558
7-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574846
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
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
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
1-(3-amino-5-bromophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116597150
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-one
CID 116708338

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one?
The IUPAC name of 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one (CID 116548422) is 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one is CCc1nn(CC)c(CC(=O)CN)c1Cl.
What is the InChIKey of 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one?
The InChIKey is YFQYGWWIRLVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-8-10(11)9(5-7(15)6-12)14(4-2)13-8/h3-6,12H2,1-2H3.
What are the key properties of 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one?
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one has a molecular weight of 229.71 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one is sourced from PubChem (CID 116548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).