3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one

C13H23N3O — CID 116566073

IUPAC3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-14-13(4,5)12(17)9-11-7-8-16(15-11)10(2)3/h7-8,10,14H,6,9H2,1-5H3
InChIKeyBPHYMDSNMGTGKB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.96
Rot. Bonds6

About 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one

3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one (PubChem CID 116566073) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
PubChem CID116566073
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-14-13(4,5)12(17)9-11-7-8-16(15-11)10(2)3/h7-8,10,14H,6,9H2,1-5H3
InChIKeyBPHYMDSNMGTGKB-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
CID 103447034
4-amino-3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116600015
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 64771433
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
diethyl 2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanedioate
CID 103972554

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The IUPAC name of 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one (CID 116566073) is 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one is CCNC(C)(C)C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The InChIKey is BPHYMDSNMGTGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-14-13(4,5)12(17)9-11-7-8-16(15-11)10(2)3/h7-8,10,14H,6,9H2,1-5H3.
What are the key properties of 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 116566073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).