5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol

C15H21N3O2 — CID 165478717

IUPAC5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cn(C(C)C)nc2C)c(O)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)18-9-14(11(3)17-18)16-8-12-5-6-13(20-4)7-15(12)19/h5-7,9-10,16,19H,8H2,1-4H3
InChIKeyNUTIJBVBDQSIRB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.10
Rot. Bonds5

About 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol

5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 165478717) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
PubChem CID165478717
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cn(C(C)C)nc2C)c(O)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)18-9-14(11(3)17-18)16-8-12-5-6-13(20-4)7-15(12)19/h5-7,9-10,16,19H,8H2,1-4H3
InChIKeyNUTIJBVBDQSIRB-UHFFFAOYSA-N
XLogP3.10
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol (CID 165478717) is 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol is COc1ccc(CNc2cn(C(C)C)nc2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is NUTIJBVBDQSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)18-9-14(11(3)17-18)16-8-12-5-6-13(20-4)7-15(12)19/h5-7,9-10,16,19H,8H2,1-4H3.
What are the key properties of 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol?
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 165478717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).