N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine

C17H31N3O — CID 104998968

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1cc(CC)nn1C
InChIInChI=1S/C17H31N3O/c1-4-14-12-16(20(3)19-14)13-15(18-5-2)9-10-17-8-6-7-11-21-17/h12,15,17-18H,4-11,13H2,1-3H3
InChIKeyNCYKGKUPCOWZMZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.85
Rot. Bonds8

About N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 104998968) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
PubChem CID104998968
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1cc(CC)nn1C
InChIInChI=1S/C17H31N3O/c1-4-14-12-16(20(3)19-14)13-15(18-5-2)9-10-17-8-6-7-11-21-17/h12,15,17-18H,4-11,13H2,1-3H3
InChIKeyNCYKGKUPCOWZMZ-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 104996517
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314237
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105002996

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine (CID 104998968) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine is CCNC(CCC1CCCCO1)Cc1cc(CC)nn1C.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is NCYKGKUPCOWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-14-12-16(20(3)19-14)13-15(18-5-2)9-10-17-8-6-7-11-21-17/h12,15,17-18H,4-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 104998968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).