2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol

C19H16FN5O — CID 139391971

IUPAC2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)c(F)cc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C19H16FN5O/c1-11-6-18(26)15(20)7-16(11)23-19-8-17(24-25-19)13-4-2-12(3-5-13)14-9-21-22-10-14/h2-10,26H,1H3,(H,21,22)(H2,23,24,25)
InChIKeyRHYCDTQSYJRLMC-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.36
Rot. Bonds4

About 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol

2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139391971) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
PubChem CID139391971
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)c(F)cc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C19H16FN5O/c1-11-6-18(26)15(20)7-16(11)23-19-8-17(24-25-19)13-4-2-12(3-5-13)14-9-21-22-10-14/h2-10,26H,1H3,(H,21,22)(H2,23,24,25)
InChIKeyRHYCDTQSYJRLMC-UHFFFAOYSA-N
XLogP4.36
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (CID 139391971) is 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is Cc1cc(O)c(F)cc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1.
What is the InChIKey of 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is RHYCDTQSYJRLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-6-18(26)15(20)7-16(11)23-19-8-17(24-25-19)13-4-2-12(3-5-13)14-9-21-22-10-14/h2-10,26H,1H3,(H,21,22)(H2,23,24,25).
What are the key properties of 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 349.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139391971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).