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

C15H29N3O — CID 116724937

IUPAC1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C(OC)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-7-9-16-13(14(19-6)15(3,4)5)12-10-17-18(8-2)11-12/h10-11,13-14,16H,7-9H2,1-6H3
InChIKeyCRGSATUBDFCIDK-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.00
Rot. Bonds7

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

1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 116724937) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID116724937
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C(OC)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-7-9-16-13(14(19-6)15(3,4)5)12-10-17-18(8-2)11-12/h10-11,13-14,16H,7-9H2,1-6H3
InChIKeyCRGSATUBDFCIDK-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
[2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutyl]hydrazine
CID 105273722
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114661446
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719917
N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116725058

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine (CID 116724937) is 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1cnn(CC)c1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is CRGSATUBDFCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-9-16-13(14(19-6)15(3,4)5)12-10-17-18(8-2)11-12/h10-11,13-14,16H,7-9H2,1-6H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.00, 7 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-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116724937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).