4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol

C19H18F3N5O — CID 166594307

IUPAC4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)15-10-14(28)6-7-16(15)24-18-11-17(25-26-18)12-2-4-13(5-3-12)27-9-1-8-23-27/h1-10,17-18,24-26,28H,11H2
InChIKeySAMBFDYIPGMFJV-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.57
Rot. Bonds4

About 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol

4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol (PubChem CID 166594307) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol
PubChem CID166594307
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)15-10-14(28)6-7-16(15)24-18-11-17(25-26-18)12-2-4-13(5-3-12)27-9-1-8-23-27/h1-10,17-18,24-26,28H,11H2
InChIKeySAMBFDYIPGMFJV-UHFFFAOYSA-N
XLogP3.57
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
3-methyl-4-[[5-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-1H-pyrazol-3-yl]amino]phenol
CID 139392007
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-fluorophenol
CID 166594308
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluorophenol
CID 166594311
4-((5-(4-(4-fluoro-1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594351
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 166594358
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2,5-difluorophenol
CID 166594365
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-ethylphenol
CID 166594275
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-chlorophenol
CID 166594312
4-((5-(6-(1H-pyrazol-1-yl)pyridin-3-yl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594333
4-((5-(3-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594343
3-methyl-4-((5-(3-(pyridin-3-yl)phenyl)-1H-pyrazol-3-yl)amino)phenol
CID 166594349

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol?
The IUPAC name of 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol (CID 166594307) is 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol is Oc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol?
The InChIKey is SAMBFDYIPGMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)15-10-14(28)6-7-16(15)24-18-11-17(25-26-18)12-2-4-13(5-3-12)27-9-1-8-23-27/h1-10,17-18,24-26,28H,11H2.
What are the key properties of 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol?
4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol has a molecular weight of 389.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 166594307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).