N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H14F5N3O — CID 95286945

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1C(F)(F)F
InChIInChI=1S/C15H14F5N3O/c1-3-23-13(15(18,19)20)11(7-21-23)14(24)22-8(2)10-5-4-9(16)6-12(10)17/h4-8H,3H2,1-2H3,(H,22,24)/t8-/m0/s1
InChIKeyRJKDIFNKLWQKDO-QMMMGPOBSA-N
MW347.29 g/mol
LogP3.69
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 95286945) has the molecular formula C15H14F5N3O and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID95286945
Molecular FormulaC15H14F5N3O
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1C(F)(F)F
InChIInChI=1S/C15H14F5N3O/c1-3-23-13(15(18,19)20)11(7-21-23)14(24)22-8(2)10-5-4-9(16)6-12(10)17/h4-8H,3H2,1-2H3,(H,22,24)/t8-/m0/s1
InChIKeyRJKDIFNKLWQKDO-QMMMGPOBSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95595685
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95287399
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
CID 125142754
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 95286945) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1C(F)(F)F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RJKDIFNKLWQKDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14F5N3O/c1-3-23-13(15(18,19)20)11(7-21-23)14(24)22-8(2)10-5-4-9(16)6-12(10)17/h4-8H,3H2,1-2H3,(H,22,24)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 347.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 95286945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).