N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide

C11H8F3N3O2 — CID 150023911

IUPACN-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
SMILESO=C(NOc1cccc(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-2-1-3-9(4-8)19-17-10(18)7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyDFVMRMBCUWLPND-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.15
Rot. Bonds3

About N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide

N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide (PubChem CID 150023911) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
PubChem CID150023911
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
SMILESO=C(NOc1cccc(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-2-1-3-9(4-8)19-17-10(18)7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyDFVMRMBCUWLPND-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
(E)-2-cyano-3-hydroxy-N-[3-(trifluoromethyl)phenoxy]but-2-enamide
CID 87589042
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
[3-(trifluoromethyl)phenyl] 3,5-diaminobenzoate
CID 178075073
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide (CID 150023911) is N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide is O=C(NOc1cccc(C(F)(F)F)c1)c1cn[nH]c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide?
The InChIKey is DFVMRMBCUWLPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)8-2-1-3-9(4-8)19-17-10(18)7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide?
N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 150023911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).