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

C15H20N4O2 — CID 117465913

IUPAC4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H20N4O2/c1-19-6-5-11(9-19)21-13-4-3-10(7-14(13)20-2)12-8-17-18-15(12)16/h3-4,7-8,11H,5-6,9H2,1-2H3,(H3,16,17,18)
InChIKeyRLMJPHXZVLXJEF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds4

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

4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117465913) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
PubChem CID117465913
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H20N4O2/c1-19-6-5-11(9-19)21-13-4-3-10(7-14(13)20-2)12-8-17-18-15(12)16/h3-4,7-8,11H,5-6,9H2,1-2H3,(H3,16,17,18)
InChIKeyRLMJPHXZVLXJEF-UHFFFAOYSA-N
XLogP1.75
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine (CID 117465913) is 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)ccc1OC1CCN(C)C1.
What is the InChIKey of 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is RLMJPHXZVLXJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-6-5-11(9-19)21-13-4-3-10(7-14(13)20-2)12-8-17-18-15(12)16/h3-4,7-8,11H,5-6,9H2,1-2H3,(H3,16,17,18).
What are the key properties of 4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine?
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 1.75, 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-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).