3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol

C18H20N6O — CID 166594333

IUPAC3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)nc2)NN1
InChIInChI=1S/C18H20N6O/c1-12-9-14(25)4-5-15(12)21-17-10-16(22-23-17)13-3-6-18(19-11-13)24-8-2-7-20-24/h2-9,11,16-17,21-23,25H,10H2,1H3
InChIKeyJYOGDSJROPDPLQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.26
Rot. Bonds4

About 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol

3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594333) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594333
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)nc2)NN1
InChIInChI=1S/C18H20N6O/c1-12-9-14(25)4-5-15(12)21-17-10-16(22-23-17)13-3-6-18(19-11-13)24-8-2-7-20-24/h2-9,11,16-17,21-23,25H,10H2,1H3
InChIKeyJYOGDSJROPDPLQ-UHFFFAOYSA-N
XLogP2.26
TPSA87.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol (CID 166594333) is 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol is Cc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)nc2)NN1.
What is the InChIKey of 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is JYOGDSJROPDPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-9-14(25)4-5-15(12)21-17-10-16(22-23-17)13-3-6-18(19-11-13)24-8-2-7-20-24/h2-9,11,16-17,21-23,25H,10H2,1H3.
What are the key properties of 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol?
3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 336.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-(6-pyrazol-1-yl-3-pyridinyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).