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

C21H25N3O2 — CID 45207386

IUPAC1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(OC)c(-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15(14-25-2)22-13-16-7-8-21(26-3)19(11-16)17-5-4-6-18(12-17)20-9-10-23-24-20/h4-12,15,22H,13-14H2,1-3H3,(H,23,24)
InChIKeyLFNDKQPQPZEVLL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.88
Rot. Bonds8

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

1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine (PubChem CID 45207386) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine
PubChem CID45207386
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(OC)c(-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C21H25N3O2/c1-15(14-25-2)22-13-16-7-8-21(26-3)19(11-16)17-5-4-6-18(12-17)20-9-10-23-24-20/h4-12,15,22H,13-14H2,1-3H3,(H,23,24)
InChIKeyLFNDKQPQPZEVLL-UHFFFAOYSA-N
XLogP3.88
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63644369
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine (CID 45207386) is 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine is COCC(C)NCc1ccc(OC)c(-c2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine?
The InChIKey is LFNDKQPQPZEVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(14-25-2)22-13-16-7-8-21(26-3)19(11-16)17-5-4-6-18(12-17)20-9-10-23-24-20/h4-12,15,22H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine?
1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine has a molecular weight of 351.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 45207386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).