3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol

C20H19N5O — CID 139391838

IUPAC3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C20H19N5O/c1-2-13-9-17(26)7-8-18(13)23-20-10-19(24-25-20)15-5-3-14(4-6-15)16-11-21-22-12-16/h3-12,26H,2H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyCZNDESUBDUWCRU-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.48
Rot. Bonds5

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

3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139391838) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
PubChem CID139391838
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C20H19N5O/c1-2-13-9-17(26)7-8-18(13)23-20-10-19(24-25-20)15-5-3-14(4-6-15)16-11-21-22-12-16/h3-12,26H,2H2,1H3,(H,21,22)(H2,23,24,25)
InChIKeyCZNDESUBDUWCRU-UHFFFAOYSA-N
XLogP4.48
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.48
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 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (CID 139391838) is 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is CCc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1.
What is the InChIKey of 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is CZNDESUBDUWCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-13-9-17(26)7-8-18(13)23-20-10-19(24-25-20)15-5-3-14(4-6-15)16-11-21-22-12-16/h3-12,26H,2H2,1H3,(H,21,22)(H2,23,24,25).
What are the key properties of 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 345.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).