N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C15H29N3 — CID 82925221

IUPACN-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC(CC)Cn1ncc(CNCC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-6-14(7-2)11-18-13(5)15(10-17-18)9-16-8-12(3)4/h10,12,14,16H,6-9,11H2,1-5H3
InChIKeyPUYLKZLFHLMNNJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.37
Rot. Bonds8

About N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82925221) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID82925221
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC(CC)Cn1ncc(CNCC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-6-14(7-2)11-18-13(5)15(10-17-18)9-16-8-12(3)4/h10,12,14,16H,6-9,11H2,1-5H3
InChIKeyPUYLKZLFHLMNNJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 82925221) is N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCC(CC)Cn1ncc(CNCC(C)C)c1C.
What is the InChIKey of N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PUYLKZLFHLMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14(7-2)11-18-13(5)15(10-17-18)9-16-8-12(3)4/h10,12,14,16H,6-9,11H2,1-5H3.
What are the key properties of N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82925221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).