1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one

C11H18N2O2 — CID 170618437

IUPAC1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1nc(OC(C)C)c(C)c1C
InChIInChI=1S/C11H18N2O2/c1-7(2)15-11-9(4)10(5)13(12-11)6-8(3)14/h7H,6H2,1-5H3
InChIKeyXHXVXSHDEKWDOW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.88
Rot. Bonds4

About 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one

1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one (PubChem CID 170618437) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one
PubChem CID170618437
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1nc(OC(C)C)c(C)c1C
InChIInChI=1S/C11H18N2O2/c1-7(2)15-11-9(4)10(5)13(12-11)6-8(3)14/h7H,6H2,1-5H3
InChIKeyXHXVXSHDEKWDOW-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-iodo-4,5-dimethylpyrazol-1-yl)acetic acid
CID 70967659
1-(5-iodo-3-methyl-4-propan-2-ylpyrazol-1-yl)propan-2-one
CID 174330976
1-(2-oxopropyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 71161746
1-[3-nitro-5-[5-nitro-2-(2-oxopropyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-1-yl]propan-2-one
CID 3335365
1-ethyl-3-methoxy-4,5-dimethylpyrazole
CID 142138593
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one
CID 19350724
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
CID 57438572
tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-iodo-3-propan-2-yloxypyrazol-1-yl]acetate
CID 170618031
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one?
The IUPAC name of 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one (CID 170618437) is 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one is CC(=O)Cn1nc(OC(C)C)c(C)c1C.
What is the InChIKey of 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one?
The InChIKey is XHXVXSHDEKWDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)15-11-9(4)10(5)13(12-11)6-8(3)14/h7H,6H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one?
1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one is sourced from PubChem (CID 170618437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).