4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one

C11H18N2O — CID 58394964

IUPAC4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
SMILESCn1nccc1C(=O)CCC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-12-13(9)4/h6,8H,5,7H2,1-4H3
InChIKeyCAVJEPGURSEPEJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.43
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one

4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one (PubChem CID 58394964) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
PubChem CID58394964
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
SMILESCn1nccc1C(=O)CCC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-12-13(9)4/h6,8H,5,7H2,1-4H3
InChIKeyCAVJEPGURSEPEJ-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116574723
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 79078086
3,4,4-trimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 114972598
3-methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 103023243
1-(2-methylpyrazol-3-yl)-4-methylsulfonylbutan-1-one
CID 105084216
1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146766
3-(4-aminophenyl)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116605383
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one (CID 58394964) is 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one is Cn1nccc1C(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one?
The InChIKey is CAVJEPGURSEPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-12-13(9)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one?
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one has a molecular weight of 194.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 58394964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).