N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

C17H25N3O — CID 107330894

IUPACN-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccnn1-c1ccccc1)C(OC)C(C)C
InChIInChI=1S/C17H25N3O/c1-5-18-16(17(21-4)13(2)3)15-11-12-19-20(15)14-9-7-6-8-10-14/h6-13,16-18H,5H2,1-4H3
InChIKeyRTAUPLFUCKTXME-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds7

About N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 107330894) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
PubChem CID107330894
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccnn1-c1ccccc1)C(OC)C(C)C
InChIInChI=1S/C17H25N3O/c1-5-18-16(17(21-4)13(2)3)15-11-12-19-20(15)14-9-7-6-8-10-14/h6-13,16-18H,5H2,1-4H3
InChIKeyRTAUPLFUCKTXME-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 114197724
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330899
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
[2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butyl]hydrazine
CID 107332493
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (CID 107330894) is N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is CCNC(c1ccnn1-c1ccccc1)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is RTAUPLFUCKTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-16(17(21-4)13(2)3)15-11-12-19-20(15)14-9-7-6-8-10-14/h6-13,16-18H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 107330894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).