3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one

C10H17N3O — CID 116586852

IUPAC3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
SMILESCNCC(C)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-8(7-11-2)10(14)6-9-4-5-13(3)12-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyYBRVSBFTWBOQRA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.39
Rot. Bonds5

About 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one

3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one (PubChem CID 116586852) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
PubChem CID116586852
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
SMILESCNCC(C)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-8(7-11-2)10(14)6-9-4-5-13(3)12-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyYBRVSBFTWBOQRA-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-one
CID 115793060
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 116556161
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116586963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one (CID 116586852) is 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one is CNCC(C)C(=O)Cc1ccn(C)n1.
What is the InChIKey of 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one?
The InChIKey is YBRVSBFTWBOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(7-11-2)10(14)6-9-4-5-13(3)12-9/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one?
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 116586852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).