2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone

C9H13FN2O — CID 122192591

IUPAC2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
SMILESCC(C)Cn1cc(C(=O)CF)cn1
InChIInChI=1S/C9H13FN2O/c1-7(2)5-12-6-8(4-11-12)9(13)3-10/h4,6-7H,3,5H2,1-2H3
InChIKeyICORYXMUVRLABT-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.69
Rot. Bonds4

About 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone

2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone (PubChem CID 122192591) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
PubChem CID122192591
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
SMILESCC(C)Cn1cc(C(=O)CF)cn1
InChIInChI=1S/C9H13FN2O/c1-7(2)5-12-6-8(4-11-12)9(13)3-10/h4,6-7H,3,5H2,1-2H3
InChIKeyICORYXMUVRLABT-UHFFFAOYSA-N
XLogP1.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255887
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128988399
1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 86817328
1-(2-methylpropyl)-N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 99797717
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637756
2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
CID 156587215
[1-(2-methylpropyl)pyrazol-4-yl] benzoate
CID 167413942
N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75501457

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone?
The IUPAC name of 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone (CID 122192591) is 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone is CC(C)Cn1cc(C(=O)CF)cn1.
What is the InChIKey of 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone?
The InChIKey is ICORYXMUVRLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(2)5-12-6-8(4-11-12)9(13)3-10/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone?
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone has a molecular weight of 184.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 122192591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).