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

C12H21N3O — CID 103023663

IUPAC1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCCNCC(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-13-7-10(2)12(16)6-5-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3
InChIKeyXJPXIQAMOJGSEC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.17
Rot. Bonds7

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

1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one (PubChem CID 103023663) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
PubChem CID103023663
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCCNCC(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-13-7-10(2)12(16)6-5-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3
InChIKeyXJPXIQAMOJGSEC-UHFFFAOYSA-N
XLogP1.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
4-amino-1-(1-methylpyrazol-4-yl)hept-6-yn-3-one
CID 103024086
(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The IUPAC name of 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one (CID 103023663) is 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one.
What is the SMILES notation for 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The canonical SMILES for 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one is CCNCC(C)C(=O)CCc1cnn(C)c1.
What is the InChIKey of 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The InChIKey is XJPXIQAMOJGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-7-10(2)12(16)6-5-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one is sourced from PubChem (CID 103023663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).