N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide

C14H14F3N3O2 — CID 56792444

IUPACN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOCC(NC(=O)c1ccn[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O2/c1-22-8-12(19-13(21)11-5-6-18-20-11)9-3-2-4-10(7-9)14(15,16)17/h2-7,12H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyFZDHAZVMYACJGP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.55
Rot. Bonds5

About N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide

N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 56792444) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID56792444
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOCC(NC(=O)c1ccn[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O2/c1-22-8-12(19-13(21)11-5-6-18-20-11)9-3-2-4-10(7-9)14(15,16)17/h2-7,12H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyFZDHAZVMYACJGP-UHFFFAOYSA-N
XLogP2.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide (CID 56792444) is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide is COCC(NC(=O)c1ccn[nH]1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FZDHAZVMYACJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-22-8-12(19-13(21)11-5-6-18-20-11)9-3-2-4-10(7-9)14(15,16)17/h2-7,12H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56792444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).