1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one

C14H24N2O — CID 122703682

IUPAC1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=CCC1C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3
InChIKeyKWIYLKZUPRGSIC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.20
Rot. Bonds1

About 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one

1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 122703682) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one
PubChem CID122703682
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=CCC1C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3
InChIKeyKWIYLKZUPRGSIC-UHFFFAOYSA-N
XLogP3.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one (CID 122703682) is 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1N=CCC1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is KWIYLKZUPRGSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one?
1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 122703682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).