1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone

C10H16N2O — CID 10511592

IUPAC1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C(C)C)nn(C)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)10-9(8(4)13)7(3)12(5)11-10/h6H,1-5H3
InChIKeyPACGEBKQDJGKCS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds2

About 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone

1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 10511592) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID10511592
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C(C)C)nn(C)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)10-9(8(4)13)7(3)12(5)11-10/h6H,1-5H3
InChIKeyPACGEBKQDJGKCS-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone (CID 10511592) is 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone is CC(=O)c1c(C(C)C)nn(C)c1C.
What is the InChIKey of 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is PACGEBKQDJGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)10-9(8(4)13)7(3)12(5)11-10/h6H,1-5H3.
What are the key properties of 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone?
1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 10511592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).