N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide

C20H20FN3O — CID 19408274

IUPACN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C
InChIInChI=1S/C20H20FN3O/c1-13-8-4-6-10-17(13)20(25)22-19-14(2)23-24(15(19)3)12-16-9-5-7-11-18(16)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNFHKRJRREMKMDX-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.25
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide (PubChem CID 19408274) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
PubChem CID19408274
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C
InChIInChI=1S/C20H20FN3O/c1-13-8-4-6-10-17(13)20(25)22-19-14(2)23-24(15(19)3)12-16-9-5-7-11-18(16)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNFHKRJRREMKMDX-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-methylbenzoyl)benzamide
CID 19408227
5-chloro-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19408223
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19407793
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzamide
CID 19408260
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476145
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555850
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267684
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17379899

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide (CID 19408274) is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide?
The InChIKey is NFHKRJRREMKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13-8-4-6-10-17(13)20(25)22-19-14(2)23-24(15(19)3)12-16-9-5-7-11-18(16)21/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide?
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide has a molecular weight of 337.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide is sourced from PubChem (CID 19408274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).