2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C17H33N3 — CID 83159858

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)n1ccc(CC(C)(CNC(C)C)C(C)C)n1
InChIInChI=1S/C17H33N3/c1-8-15(6)20-10-9-16(19-20)11-17(7,13(2)3)12-18-14(4)5/h9-10,13-15,18H,8,11-12H2,1-7H3
InChIKeyMSACFBYVHWISHC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.06
Rot. Bonds8

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 83159858) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID83159858
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)n1ccc(CC(C)(CNC(C)C)C(C)C)n1
InChIInChI=1S/C17H33N3/c1-8-15(6)20-10-9-16(19-20)11-17(7,13(2)3)12-18-14(4)5/h9-10,13-15,18H,8,11-12H2,1-7H3
InChIKeyMSACFBYVHWISHC-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

1-butan-2-yl-3-[2-(chloromethyl)-2,3-dimethylbutyl]pyrazole
CID 83151402
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 83159652
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
2-[(1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83150695
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 83159858) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CCC(C)n1ccc(CC(C)(CNC(C)C)C(C)C)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MSACFBYVHWISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-8-15(6)20-10-9-16(19-20)11-17(7,13(2)3)12-18-14(4)5/h9-10,13-15,18H,8,11-12H2,1-7H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83159858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).