1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine

C24H29N3O2 — CID 46965837

IUPAC1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(OC)c(Cn4cccn4)c3)CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-28-22-9-7-21(8-10-22)24(12-3-4-13-24)25-17-19-6-11-23(29-2)20(16-19)18-27-15-5-14-26-27/h5-11,14-16,25H,3-4,12-13,17-18H2,1-2H3
InChIKeyXYYWNNBGYCXXNU-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.51
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine

1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine (PubChem CID 46965837) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine
PubChem CID46965837
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(OC)c(Cn4cccn4)c3)CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-28-22-9-7-21(8-10-22)24(12-3-4-13-24)25-17-19-6-11-23(29-2)20(16-19)18-27-15-5-14-26-27/h5-11,14-16,25H,3-4,12-13,17-18H2,1-2H3
InChIKeyXYYWNNBGYCXXNU-UHFFFAOYSA-N
XLogP4.51
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine
CID 46955142
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45220941
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684
(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
CID 99929184
N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 16672057
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 19624915
(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine (CID 46965837) is 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine is COc1ccc(C2(NCc3ccc(OC)c(Cn4cccn4)c3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is XYYWNNBGYCXXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-28-22-9-7-21(8-10-22)24(12-3-4-13-24)25-17-19-6-11-23(29-2)20(16-19)18-27-15-5-14-26-27/h5-11,14-16,25H,3-4,12-13,17-18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine?
1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 391.52 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 46965837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).