1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one

C9H16N2O — CID 144672575

IUPAC1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one
SMILESCCN1C=CC(C(=O)C(C)C)N1
InChIInChI=1S/C9H16N2O/c1-4-11-6-5-8(10-11)9(12)7(2)3/h5-8,10H,4H2,1-3H3
InChIKeyQPCIPNVKONBCIT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds3

About 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one

1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 144672575) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one
PubChem CID144672575
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one
SMILESCCN1C=CC(C(=O)C(C)C)N1
InChIInChI=1S/C9H16N2O/c1-4-11-6-5-8(10-11)9(12)7(2)3/h5-8,10H,4H2,1-3H3
InChIKeyQPCIPNVKONBCIT-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one (CID 144672575) is 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one is CCN1C=CC(C(=O)C(C)C)N1.
What is the InChIKey of 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is QPCIPNVKONBCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-11-6-5-8(10-11)9(12)7(2)3/h5-8,10H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one?
1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,5-dihydropyrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 144672575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).