1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine

C12H23N3O — CID 116719917

IUPAC1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCCn1cc(C(NC)C(OC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)11(13-4)12(16-5)9(2)3/h7-9,11-13H,6H2,1-5H3
InChIKeyRLSFIEZMKUKTPN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.83
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine

1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 116719917) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID116719917
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCCn1cc(C(NC)C(OC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)11(13-4)12(16-5)9(2)3/h7-9,11-13H,6H2,1-5H3
InChIKeyRLSFIEZMKUKTPN-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
[2-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272039
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 115816197
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116715354
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
[2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutyl]hydrazine
CID 105273722
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 116719917) is 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine is CCn1cc(C(NC)C(OC)C(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is RLSFIEZMKUKTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-15-8-10(7-14-15)11(13-4)12(16-5)9(2)3/h7-9,11-13H,6H2,1-5H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).