N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine

C15H29N3O — CID 114666878

IUPACN-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine
SMILESCCn1ncc(OC)c1C(C)C(C)CNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-8-18-14(13(19-7)10-17-18)12(3)11(2)9-16-15(4,5)6/h10-12,16H,8-9H2,1-7H3
InChIKeyAPAITDBYBRNHDH-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.04
Rot. Bonds6

About N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine

N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine (PubChem CID 114666878) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine
PubChem CID114666878
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine
SMILESCCn1ncc(OC)c1C(C)C(C)CNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-8-18-14(13(19-7)10-17-18)12(3)11(2)9-16-15(4,5)6/h10-12,16H,8-9H2,1-7H3
InChIKeyAPAITDBYBRNHDH-UHFFFAOYSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114666830
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
CID 114661573
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine (CID 114666878) is N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine is CCn1ncc(OC)c1C(C)C(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine?
The InChIKey is APAITDBYBRNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-8-18-14(13(19-7)10-17-18)12(3)11(2)9-16-15(4,5)6/h10-12,16H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine?
N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 114666878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).