(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C17H25N3O — CID 81367241

IUPAC(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C17H25N3O/c1-13(15-6-8-16(21-5)9-7-15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-13,18H,10H2,1-5H3/t13-/m1/s1
InChIKeyCUOMIMYKODVSEI-CYBMUJFWSA-N
MW287.41 g/mol
LogP3.50
Rot. Bonds5

About (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81367241) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81367241
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C17H25N3O/c1-13(15-6-8-16(21-5)9-7-15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-13,18H,10H2,1-5H3/t13-/m1/s1
InChIKeyCUOMIMYKODVSEI-CYBMUJFWSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 93291145
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94193136
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 81367241) is (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)cc1.
What is the InChIKey of (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is CUOMIMYKODVSEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(15-6-8-16(21-5)9-7-15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-13,18H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).