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

C11H18N2O — CID 10607869

IUPAC4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one
SMILESCn1ccc(C(=O)CCC(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-13(4)12-9/h6,8H,5,7H2,1-4H3
InChIKeyFDLZEIPHDINNQT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.43
Rot. Bonds3

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

4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one (PubChem CID 10607869) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one
PubChem CID10607869
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one
SMILESCn1ccc(C(=O)CCC(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-13(4)12-9/h6,8H,5,7H2,1-4H3
InChIKeyFDLZEIPHDINNQT-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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one (CID 10607869) is 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one is Cn1ccc(C(=O)CCC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one?
The InChIKey is FDLZEIPHDINNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)7-5-10(14)9-6-8-13(4)12-9/h6,8H,5,7H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one?
4,4-dimethyl-1-(1-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-(1-methylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 10607869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).