3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol

C20H23N5O — CID 166594356

IUPAC3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2cccc(-c3cnn(C)c3)c2)NN1
InChIInChI=1S/C20H23N5O/c1-13-8-17(26)6-7-18(13)22-20-10-19(23-24-20)15-5-3-4-14(9-15)16-11-21-25(2)12-16/h3-9,11-12,19-20,22-24,26H,10H2,1-2H3
InChIKeyMDRCLJRMFUFHQP-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.08
Rot. Bonds4

About 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol

3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol (PubChem CID 166594356) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol
PubChem CID166594356
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2cccc(-c3cnn(C)c3)c2)NN1
InChIInChI=1S/C20H23N5O/c1-13-8-17(26)6-7-18(13)22-20-10-19(23-24-20)15-5-3-4-14(9-15)16-11-21-25(2)12-16/h3-9,11-12,19-20,22-24,26H,10H2,1-2H3
InChIKeyMDRCLJRMFUFHQP-UHFFFAOYSA-N
XLogP3.08
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol (CID 166594356) is 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol is Cc1cc(O)ccc1NC1CC(c2cccc(-c3cnn(C)c3)c2)NN1.
What is the InChIKey of 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol?
The InChIKey is MDRCLJRMFUFHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-8-17(26)6-7-18(13)22-20-10-19(23-24-20)15-5-3-4-14(9-15)16-11-21-25(2)12-16/h3-9,11-12,19-20,22-24,26H,10H2,1-2H3.
What are the key properties of 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol?
3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol has a molecular weight of 349.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-[3-(1-methylpyrazol-4-yl)phenyl]pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).