3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide

C20H20FN3O — CID 9403845

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-14-17(15(2)24(23-14)16-8-4-3-5-9-16)12-13-20(25)22-19-11-7-6-10-18(19)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyCQZQTMDJGCWKNG-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.20
Rot. Bonds5

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide (PubChem CID 9403845) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
PubChem CID9403845
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-14-17(15(2)24(23-14)16-8-4-3-5-9-16)12-13-20(25)22-19-11-7-6-10-18(19)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyCQZQTMDJGCWKNG-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 9428459
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 35330902
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-methylbenzamide
CID 55363725
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 29289363
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide (CID 9403845) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1F.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide?
The InChIKey is CQZQTMDJGCWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-17(15(2)24(23-14)16-8-4-3-5-9-16)12-13-20(25)22-19-11-7-6-10-18(19)21/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide has a molecular weight of 337.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 9403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).