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

C18H15ClFN3O — CID 19411471

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-12-8-17(21-18(24)14-5-3-7-16(20)10-14)22-23(12)11-13-4-2-6-15(19)9-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyOMZHPOWYCWKTPM-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.28
Rot. Bonds4

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide (PubChem CID 19411471) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
PubChem CID19411471
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-12-8-17(21-18(24)14-5-3-7-16(20)10-14)22-23(12)11-13-4-2-6-15(19)9-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyOMZHPOWYCWKTPM-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17052782
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
2-[4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504765
4-fluoro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392877
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345828
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19337316
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345931

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide (CID 19411471) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2)nn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is OMZHPOWYCWKTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-8-17(21-18(24)14-5-3-7-16(20)10-14)22-23(12)11-13-4-2-6-15(19)9-13/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 343.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 19411471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).