1-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C9H14N2O — CID 64773329

IUPAC1-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)11-5-4-9(10-11)6-8(3)12/h4-5,7H,6H2,1-3H3
InChIKeyPBCHIHKMHFDAMC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds3

About 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one

1-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 64773329) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID64773329
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)11-5-4-9(10-11)6-8(3)12/h4-5,7H,6H2,1-3H3
InChIKeyPBCHIHKMHFDAMC-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 64773329) is 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one is CC(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is PBCHIHKMHFDAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)11-5-4-9(10-11)6-8(3)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64773329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).