4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one

C13H23N3O — CID 116566741

IUPAC4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cc(CC)nn1C
InChIInChI=1S/C13H23N3O/c1-5-11-8-12(16(4)15-11)9-13(17)7-10(3)14-6-2/h8,10,14H,5-7,9H2,1-4H3
InChIKeyBZFVHSFNDKQPOE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds7

About 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one

4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one (PubChem CID 116566741) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
PubChem CID116566741
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cc(CC)nn1C
InChIInChI=1S/C13H23N3O/c1-5-11-8-12(16(4)15-11)9-13(17)7-10(3)14-6-2/h8,10,14H,5-7,9H2,1-4H3
InChIKeyBZFVHSFNDKQPOE-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116566819
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107061983
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one?
The IUPAC name of 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one (CID 116566741) is 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one is CCNC(C)CC(=O)Cc1cc(CC)nn1C.
What is the InChIKey of 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one?
The InChIKey is BZFVHSFNDKQPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-11-8-12(16(4)15-11)9-13(17)7-10(3)14-6-2/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one?
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one is sourced from PubChem (CID 116566741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).