1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine

C16H31N3O — CID 105048330

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)19-15(14(20-8)10-18-19)13(17-7)9-12(3)16(4,5)6/h10-13,17H,9H2,1-8H3
InChIKeyIHNCMULYGRYNOT-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 105048330) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID105048330
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)19-15(14(20-8)10-18-19)13(17-7)9-12(3)16(4,5)6/h10-13,17H,9H2,1-8H3
InChIKeyIHNCMULYGRYNOT-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183990
3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 105186821
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653589
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211346
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine (CID 105048330) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is IHNCMULYGRYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)19-15(14(20-8)10-18-19)13(17-7)9-12(3)16(4,5)6/h10-13,17H,9H2,1-8H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 105048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).