(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

C24H23N3O2 — CID 42393773

IUPAC(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc12
InChIInChI=1S/C24H23N3O2/c1-16(25-13-19-9-6-12-23-24(19)29-15-28-23)21-14-26-27(17(21)2)22-11-5-8-18-7-3-4-10-20(18)22/h3-12,14,16,25H,13,15H2,1-2H3/t16-/m1/s1
InChIKeyASEPRTYQJJZOGK-MRXNPFEDSA-N
MW385.47 g/mol
LogP4.91
Rot. Bonds5

About (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (PubChem CID 42393773) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
PubChem CID42393773
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc12
InChIInChI=1S/C24H23N3O2/c1-16(25-13-19-9-6-12-23-24(19)29-15-28-23)21-14-26-27(17(21)2)22-11-5-8-18-7-3-4-10-20(18)22/h3-12,14,16,25H,13,15H2,1-2H3/t16-/m1/s1
InChIKeyASEPRTYQJJZOGK-MRXNPFEDSA-N
XLogP4.91
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 42458001
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
CID 45236071
1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 45226675
(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 25456774
N-(1,3-benzodioxol-4-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 43583627
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 45205680
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
(1S)-N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 25312272
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81349856
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
2-[1-(1,3-benzodioxol-4-ylmethylamino)ethyl]-5-methylphenol
CID 61212273
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
CID 72886463

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (CID 42393773) is (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is Cc1c([C@@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc12.
What is the InChIKey of (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is ASEPRTYQJJZOGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16(25-13-19-9-6-12-23-24(19)29-15-28-23)21-14-26-27(17(21)2)22-11-5-8-18-7-3-4-10-20(18)22/h3-12,14,16,25H,13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 385.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 42393773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).