4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine

C16H22N4O2 — CID 117487266

IUPAC4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(OC2CCN(C)CC2)cccc1-c1cn[nH]c1N
InChIInChI=1S/C16H22N4O2/c1-20-8-6-11(7-9-20)22-14-5-3-4-12(15(14)21-2)13-10-18-19-16(13)17/h3-5,10-11H,6-9H2,1-2H3,(H3,17,18,19)
InChIKeyVRNCCYPGJMHLRS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.14
Rot. Bonds4

About 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine

4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117487266) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
PubChem CID117487266
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(OC2CCN(C)CC2)cccc1-c1cn[nH]c1N
InChIInChI=1S/C16H22N4O2/c1-20-8-6-11(7-9-20)22-14-5-3-4-12(15(14)21-2)13-10-18-19-16(13)17/h3-5,10-11H,6-9H2,1-2H3,(H3,17,18,19)
InChIKeyVRNCCYPGJMHLRS-UHFFFAOYSA-N
XLogP2.14
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.14
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-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117438444
4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
CID 117370154
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
CID 104835034
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine (CID 117487266) is 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine is COc1c(OC2CCN(C)CC2)cccc1-c1cn[nH]c1N.
What is the InChIKey of 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is VRNCCYPGJMHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20-8-6-11(7-9-20)22-14-5-3-4-12(15(14)21-2)13-10-18-19-16(13)17/h3-5,10-11H,6-9H2,1-2H3,(H3,17,18,19).
What are the key properties of 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine?
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 302.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117487266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).