N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide

C9H14FN3O — CID 130165229

IUPACN-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)F)nn1C
InChIInChI=1S/C9H14FN3O/c1-6-5-7(12-13(6)4)11-8(14)9(2,3)10/h5H,1-4H3,(H,11,12,14)
InChIKeyFEEKHVOCYPDLIV-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.42
Rot. Bonds2

About N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide

N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130165229) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
PubChem CID130165229
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)F)nn1C
InChIInChI=1S/C9H14FN3O/c1-6-5-7(12-13(6)4)11-8(14)9(2,3)10/h5H,1-4H3,(H,11,12,14)
InChIKeyFEEKHVOCYPDLIV-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
2-Chloro-N-(1,5-dimethyl-1H-pyrazol-3-yl)-acetamide
CID 6485361
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide (CID 130165229) is N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide is Cc1cc(NC(=O)C(C)(C)F)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is FEEKHVOCYPDLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6-5-7(12-13(6)4)11-8(14)9(2,3)10/h5H,1-4H3,(H,11,12,14).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 199.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).