4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C19H30N4O2 — CID 94822156

IUPAC4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCCOc1ccc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)cc1OC
InChIInChI=1S/C19H30N4O2/c1-8-25-17-10-9-15(11-18(17)24-7)13(2)20-12-16-14(3)21-23(6)19(16)22(4)5/h9-11,13,20H,8,12H2,1-7H3/t13-/m1/s1
InChIKeyNYAUIADDVIHRJJ-CYBMUJFWSA-N
MW346.48 g/mol
LogP3.05
Rot. Bonds8

About 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 94822156) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID94822156
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCCOc1ccc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)cc1OC
InChIInChI=1S/C19H30N4O2/c1-8-25-17-10-9-15(11-18(17)24-7)13(2)20-12-16-14(3)21-23(6)19(16)22(4)5/h9-11,13,20H,8,12H2,1-7H3/t13-/m1/s1
InChIKeyNYAUIADDVIHRJJ-CYBMUJFWSA-N
XLogP3.05
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824668
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 51104803
N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine
CID 95142460
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824212
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 94822156) is 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is CCOc1ccc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)cc1OC.
What is the InChIKey of 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is NYAUIADDVIHRJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-8-25-17-10-9-15(11-18(17)24-7)13(2)20-12-16-14(3)21-23(6)19(16)22(4)5/h9-11,13,20H,8,12H2,1-7H3/t13-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 346.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 94822156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).