N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

C13H24ClN3 — CID 83044250

IUPACN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1
InChIInChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3
InChIKeyCYMASQAFCWQERY-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.57
Rot. Bonds5

About N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (PubChem CID 83044250) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
PubChem CID83044250
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1
InChIInChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3
InChIKeyCYMASQAFCWQERY-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (CID 83044250) is N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1.
What is the InChIKey of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The InChIKey is CYMASQAFCWQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine has a molecular weight of 257.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 83044250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).