(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

C14H19N3O — CID 82867137

IUPAC(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@H](C)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11(12-4-6-14(18-3)7-5-12)15-10-13-8-9-17(2)16-13/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1
InChIKeyBKUWIWQXZIAMHF-NSHDSACASA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 82867137) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID82867137
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@H](C)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11(12-4-6-14(18-3)7-5-12)15-10-13-8-9-17(2)16-13/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1
InChIKeyBKUWIWQXZIAMHF-NSHDSACASA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872955
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 82867137) is (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is COc1ccc([C@H](C)NCc2ccn(C)n2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is BKUWIWQXZIAMHF-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(12-4-6-14(18-3)7-5-12)15-10-13-8-9-17(2)16-13/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 82867137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).