4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol

C19H16FN5O — CID 139391667

IUPAC4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(-n3cc(F)cn3)cc2)[nH]n1
InChIInChI=1S/C19H16FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-11,26H,1H3,(H2,22,23,24)
InChIKeyPBZYJFWPMGGAEE-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.16
Rot. Bonds4

About 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol

4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol (PubChem CID 139391667) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
PubChem CID139391667
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(-n3cc(F)cn3)cc2)[nH]n1
InChIInChI=1S/C19H16FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-11,26H,1H3,(H2,22,23,24)
InChIKeyPBZYJFWPMGGAEE-UHFFFAOYSA-N
XLogP4.16
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)-2-fluorophenol
CID 139391755
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-(trifluoromethyl)phenol
CID 166594307
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-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391735
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838
4-((5-(4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391966

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol (CID 139391667) is 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol is Cc1cc(O)ccc1Nc1cc(-c2ccc(-n3cc(F)cn3)cc2)[nH]n1.
What is the InChIKey of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol?
The InChIKey is PBZYJFWPMGGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-8-16(26)6-7-17(12)22-19-9-18(23-24-19)13-2-4-15(5-3-13)25-11-14(20)10-21-25/h2-11,26H,1H3,(H2,22,23,24).
What are the key properties of 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol?
4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol has a molecular weight of 349.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 139391667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).