N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine

C16H16N4O — CID 141149120

IUPACN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine
SMILESCc1ccc(Oc2ccc(Nc3cn[nH]c3)cc2C)cn1
InChIInChI=1S/C16H16N4O/c1-11-7-13(20-14-8-18-19-9-14)4-6-16(11)21-15-5-3-12(2)17-10-15/h3-10,20H,1-2H3,(H,18,19)
InChIKeyZSGQEUIMSFTKRI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.96
Rot. Bonds4

About N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine

N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine (PubChem CID 141149120) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine
PubChem CID141149120
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine
SMILESCc1ccc(Oc2ccc(Nc3cn[nH]c3)cc2C)cn1
InChIInChI=1S/C16H16N4O/c1-11-7-13(20-14-8-18-19-9-14)4-6-16(11)21-15-5-3-12(2)17-10-15/h3-10,20H,1-2H3,(H,18,19)
InChIKeyZSGQEUIMSFTKRI-UHFFFAOYSA-N
XLogP3.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine (CID 141149120) is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine is Cc1ccc(Oc2ccc(Nc3cn[nH]c3)cc2C)cn1.
What is the InChIKey of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine?
The InChIKey is ZSGQEUIMSFTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-13(20-14-8-18-19-9-14)4-6-16(11)21-15-5-3-12(2)17-10-15/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine?
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 141149120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).