4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one

C10H16N2O — CID 62126204

IUPAC4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C10H16N2O/c1-8(2)10(13)5-4-9-6-11-12(3)7-9/h6-8H,4-5H2,1-3H3
InChIKeyIDZVARLUSOQVES-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.58
Rot. Bonds4

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

4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one (PubChem CID 62126204) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
PubChem CID62126204
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C10H16N2O/c1-8(2)10(13)5-4-9-6-11-12(3)7-9/h6-8H,4-5H2,1-3H3
InChIKeyIDZVARLUSOQVES-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023663
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
4-amino-1-(1-methylpyrazol-4-yl)hept-6-yn-3-one
CID 103024086
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one (CID 62126204) is 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one is CC(C)C(=O)CCc1cnn(C)c1.
What is the InChIKey of 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one?
The InChIKey is IDZVARLUSOQVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)10(13)5-4-9-6-11-12(3)7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one?
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one is sourced from PubChem (CID 62126204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).