4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine

C14H18N4O2 — CID 117438444

IUPAC4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OC1CN(C)C1
InChIInChI=1S/C14H18N4O2/c1-18-7-10(8-18)20-12-4-3-9(5-13(12)19-2)11-6-16-17-14(11)15/h3-6,10H,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyXUFFKOGXTFAJGW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.36
Rot. Bonds4

About 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine

4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117438444) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
PubChem CID117438444
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OC1CN(C)C1
InChIInChI=1S/C14H18N4O2/c1-18-7-10(8-18)20-12-4-3-9(5-13(12)19-2)11-6-16-17-14(11)15/h3-6,10H,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyXUFFKOGXTFAJGW-UHFFFAOYSA-N
XLogP1.36
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
4-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]-1H-pyrazol-5-amine
CID 117494110
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117338159
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117489524
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine (CID 117438444) is 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)ccc1OC1CN(C)C1.
What is the InChIKey of 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is XUFFKOGXTFAJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-7-10(8-18)20-12-4-3-9(5-13(12)19-2)11-6-16-17-14(11)15/h3-6,10H,7-8H2,1-2H3,(H3,15,16,17).
What are the key properties of 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 274.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117438444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).