N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide

C14H13F2N3O — CID 122144923

IUPACN-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)C(NC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8(2)13(9-3-4-10(15)11(16)7-9)18-14(20)12-5-6-17-19-12/h3-7,13H,1H2,2H3,(H,17,19)(H,18,20)
InChIKeyFXKPWKKNRJXBJB-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide

N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide (PubChem CID 122144923) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide
PubChem CID122144923
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)C(NC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8(2)13(9-3-4-10(15)11(16)7-9)18-14(20)12-5-6-17-19-12/h3-7,13H,1H2,2H3,(H,17,19)(H,18,20)
InChIKeyFXKPWKKNRJXBJB-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(3,4-difluorophenyl)ethylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 86785665
(2S)-N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-5-oxopyrrolidine-2-carboxamide
CID 129398822
(E)-N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-4-(dimethylamino)but-2-enamide
CID 146097664
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(4-chlorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 83179850
1-[[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123500
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide (CID 122144923) is N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide is C=C(C)C(NC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FXKPWKKNRJXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8(2)13(9-3-4-10(15)11(16)7-9)18-14(20)12-5-6-17-19-12/h3-7,13H,1H2,2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide?
N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).