4-fluoro-N-(1-methylpyrazol-4-yl)benzamide

C11H10FN3O — CID 60749610

IUPAC4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C11H10FN3O/c1-15-7-10(6-13-15)14-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16)
InChIKeyPWOAKCFWBXBDFP-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.81
Rot. Bonds2

About 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide

4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 60749610) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID60749610
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C11H10FN3O/c1-15-7-10(6-13-15)14-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16)
InChIKeyPWOAKCFWBXBDFP-UHFFFAOYSA-N
XLogP1.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
CID 91629110
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
CID 53167935
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (CID 60749610) is 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is PWOAKCFWBXBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-7-10(6-13-15)14-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16).
What are the key properties of 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 219.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 60749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).