N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C14H27N3 — CID 82923807

IUPACN-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)Cn1nccc1CNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-12(7-2)11-17-13(8-9-16-17)10-15-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyWNNURTOZYWJRSG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds6

About N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82923807) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID82923807
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)Cn1nccc1CNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-12(7-2)11-17-13(8-9-16-17)10-15-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyWNNURTOZYWJRSG-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 82923807) is N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is CCC(CC)Cn1nccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WNNURTOZYWJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-12(7-2)11-17-13(8-9-16-17)10-15-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82923807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).