1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

C20H20FN3O — CID 2108293

IUPAC1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHDZNCKLMVPZWDN-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.62
Rot. Bonds5

About 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 2108293) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID2108293
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHDZNCKLMVPZWDN-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (CID 2108293) is 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F.
What is the InChIKey of 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HDZNCKLMVPZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 2108293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).