N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide

C17H13ClFN3O — CID 21105222

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN3O/c1-22-16(20-17(23)12-3-2-4-14(19)9-12)10-15(21-22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,20,23)
InChIKeyBSYCJRQQIJKGGQ-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.13
Rot. Bonds3

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide (PubChem CID 21105222) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide
PubChem CID21105222
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN3O/c1-22-16(20-17(23)12-3-2-4-14(19)9-12)10-15(21-22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,20,23)
InChIKeyBSYCJRQQIJKGGQ-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
2-(4-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-(4-fluoro-1-methyl-1H-indazol-3-yl)-4-methylbenzamide
CID 2742951
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide (CID 21105222) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide?
The InChIKey is BSYCJRQQIJKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-22-16(20-17(23)12-3-2-4-14(19)9-12)10-15(21-22)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,20,23).
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 329.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 21105222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).