N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C12H12FN3O — CID 45285306

IUPACN-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)12(17)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,17)
InChIKeyWUMUQIPYTYPQRN-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.12
Rot. Bonds2

About N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285306) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285306
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)12(17)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,17)
InChIKeyWUMUQIPYTYPQRN-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 45285306) is N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is WUMUQIPYTYPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-11(7-16(2)15-8)12(17)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).