N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide

C15H14FN3O2 — CID 104780561

IUPACN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C#CCO)c2)cnn1C
InChIInChI=1S/C15H14FN3O2/c1-10-13(9-17-19(10)2)15(21)18-12-5-6-14(16)11(8-12)4-3-7-20/h5-6,8-9,20H,7H2,1-2H3,(H,18,21)
InChIKeyOXLMVNDVGWBFJE-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.46
Rot. Bonds2

About N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 104780561) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID104780561
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C#CCO)c2)cnn1C
InChIInChI=1S/C15H14FN3O2/c1-10-13(9-17-19(10)2)15(21)18-12-5-6-14(16)11(8-12)4-3-7-20/h5-6,8-9,20H,7H2,1-2H3,(H,18,21)
InChIKeyOXLMVNDVGWBFJE-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
CID 104780549
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 65433326
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 63334167
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide (CID 104780561) is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(C#CCO)c2)cnn1C.
What is the InChIKey of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OXLMVNDVGWBFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10-13(9-17-19(10)2)15(21)18-12-5-6-14(16)11(8-12)4-3-7-20/h5-6,8-9,20H,7H2,1-2H3,(H,18,21).
What are the key properties of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 104780561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).