3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine

C15H21N3O2 — CID 115069281

IUPAC3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCOc1ccccc1Cn1ncc(CCCN)c1OC
InChIInChI=1S/C15H21N3O2/c1-19-14-8-4-3-6-13(14)11-18-15(20-2)12(10-17-18)7-5-9-16/h3-4,6,8,10H,5,7,9,11,16H2,1-2H3
InChIKeyDQEIBIYYLVTAJZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.84
Rot. Bonds7

About 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine

3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 115069281) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID115069281
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCOc1ccccc1Cn1ncc(CCCN)c1OC
InChIInChI=1S/C15H21N3O2/c1-19-14-8-4-3-6-13(14)11-18-15(20-2)12(10-17-18)7-5-9-16/h3-4,6,8,10H,5,7,9,11,16H2,1-2H3
InChIKeyDQEIBIYYLVTAJZ-UHFFFAOYSA-N
XLogP1.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 115069281) is 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine is COc1ccccc1Cn1ncc(CCCN)c1OC.
What is the InChIKey of 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is DQEIBIYYLVTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-14-8-4-3-6-13(14)11-18-15(20-2)12(10-17-18)7-5-9-16/h3-4,6,8,10H,5,7,9,11,16H2,1-2H3.
What are the key properties of 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).