2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

C11H16N4O — CID 155518699

IUPAC2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1N=CCC1c1ccn[nH]1
InChIInChI=1S/C11H16N4O/c1-11(2,3)10(16)15-9(5-7-13-15)8-4-6-12-14-8/h4,6-7,9H,5H2,1-3H3,(H,12,14)
InChIKeyBCYUIRUARBPELP-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.72
Rot. Bonds1

About 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 155518699) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID155518699
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1N=CCC1c1ccn[nH]1
InChIInChI=1S/C11H16N4O/c1-11(2,3)10(16)15-9(5-7-13-15)8-4-6-12-14-8/h4,6-7,9H,5H2,1-3H3,(H,12,14)
InChIKeyBCYUIRUARBPELP-UHFFFAOYSA-N
XLogP1.72
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-1-[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
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1-Pyrazolylphenyl-azetidin-2-one
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2-amino-3,3,3-trifluoro-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
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2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 155518699) is 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is CC(C)(C)C(=O)N1N=CCC1c1ccn[nH]1.
What is the InChIKey of 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is BCYUIRUARBPELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,3)10(16)15-9(5-7-13-15)8-4-6-12-14-8/h4,6-7,9H,5H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 220.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 155518699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).