4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide

C12H11F3N4O2 — CID 63103575

IUPAC4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)6-21-9-4-2-1-3-8(9)18-11(20)10-7(16)5-17-19-10/h1-5H,6,16H2,(H,17,19)(H,18,20)
InChIKeyXVKWDOFYVUSEHR-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide

4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63103575) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID63103575
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)6-21-9-4-2-1-3-8(9)18-11(20)10-7(16)5-17-19-10/h1-5H,6,16H2,(H,17,19)(H,18,20)
InChIKeyXVKWDOFYVUSEHR-UHFFFAOYSA-N
XLogP2.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 63105944
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-phthalazine-1-carboxamide
CID 33369765
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55507813
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 63103575) is 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XVKWDOFYVUSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)6-21-9-4-2-1-3-8(9)18-11(20)10-7(16)5-17-19-10/h1-5H,6,16H2,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).