3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol

C17H14F3N3O — CID 141222706

IUPAC3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol
SMILESOc1cccc(NCc2cn[nH]c2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-4-1-3-11(7-13)16-12(10-22-23-16)9-21-14-5-2-6-15(24)8-14/h1-8,10,21,24H,9H2,(H,22,23)
InChIKeyMPBDCIRRPOWARI-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.41
Rot. Bonds4

About 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol

3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol (PubChem CID 141222706) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol
PubChem CID141222706
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol
SMILESOc1cccc(NCc2cn[nH]c2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-4-1-3-11(7-13)16-12(10-22-23-16)9-21-14-5-2-6-15(24)8-14/h1-8,10,21,24H,9H2,(H,22,23)
InChIKeyMPBDCIRRPOWARI-UHFFFAOYSA-N
XLogP4.41
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 28362768
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-6-methylphenol
CID 46983936
3-[3-(4-Fluorophenyl)pyrazol-1-yl]phenol
CID 57156836
4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]phenol
CID 57999617
3-[[(3R,4R,4aR,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]methylamino]phenol
CID 60047762
3-butan-2-yloxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721176
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
CID 68721540
3-pentan-3-yloxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721779
3-phenoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722366
3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722415
3-(2-methylbutoxy)-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722441
1-[2-hydroxy-4-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenyl]butan-1-one
CID 68722762

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol?
The IUPAC name of 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol (CID 141222706) is 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol.
What is the SMILES notation for 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol?
The canonical SMILES for 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol is Oc1cccc(NCc2cn[nH]c2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol?
The InChIKey is MPBDCIRRPOWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)13-4-1-3-11(7-13)16-12(10-22-23-16)9-21-14-5-2-6-15(24)8-14/h1-8,10,21,24H,9H2,(H,22,23).
What are the key properties of 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol?
3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol has a molecular weight of 333.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methylamino]phenol is sourced from PubChem (CID 141222706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).