1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone

C9H14N2O — CID 10749582

IUPAC1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C9H14N2O/c1-5(2)9-8(7(4)12)6(3)10-11-9/h5H,1-4H3,(H,10,11)
InChIKeyFDIPFWQJBGVJMP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.04
Rot. Bonds2

About 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone

1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone (PubChem CID 10749582) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
PubChem CID10749582
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C9H14N2O/c1-5(2)9-8(7(4)12)6(3)10-11-9/h5H,1-4H3,(H,10,11)
InChIKeyFDIPFWQJBGVJMP-UHFFFAOYSA-N
XLogP2.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone (CID 10749582) is 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone is CC(=O)c1c(C(C)C)n[nH]c1C.
What is the InChIKey of 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone?
The InChIKey is FDIPFWQJBGVJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5(2)9-8(7(4)12)6(3)10-11-9/h5H,1-4H3,(H,10,11).
What are the key properties of 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone?
1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 10749582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).