N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C19H17F2N3O — CID 46588913

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H17F2N3O/c1-12(15-10-14(20)8-9-16(15)21)24(2)19(25)18-11-17(22-23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23)
InChIKeyHQBTYOLVYRECJC-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 46588913) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID46588913
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H17F2N3O/c1-12(15-10-14(20)8-9-16(15)21)24(2)19(25)18-11-17(22-23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23)
InChIKeyHQBTYOLVYRECJC-UHFFFAOYSA-N
XLogP4.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86998208
3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
CID 95068212
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78853229
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228642
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 46588913) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is HQBTYOLVYRECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-12(15-10-14(20)8-9-16(15)21)24(2)19(25)18-11-17(22-23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).