5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride

C13H26ClN3 — CID 126967121

IUPAC5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCCC(C)C)nn1CC(C)C.Cl
InChIInChI=1S/C13H25N3.ClH/c1-10(2)6-7-14-13-8-12(5)16(15-13)9-11(3)4;/h8,10-11H,6-7,9H2,1-5H3,(H,14,15);1H
InChIKeyXFJQESPOMXYQEI-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.73
Rot. Bonds6

About 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride

5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride (PubChem CID 126967121) has the molecular formula C13H26ClN3 and a molecular weight of 259.82 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride
PubChem CID126967121
Molecular FormulaC13H26ClN3
Molecular Weight259.82 g/mol
Exact Mass259.18
IUPAC Name5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCCC(C)C)nn1CC(C)C.Cl
InChIInChI=1S/C13H25N3.ClH/c1-10(2)6-7-14-13-8-12(5)16(15-13)9-11(3)4;/h8,10-11H,6-7,9H2,1-5H3,(H,14,15);1H
InChIKeyXFJQESPOMXYQEI-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride (CID 126967121) is 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride is Cc1cc(NCCC(C)C)nn1CC(C)C.Cl.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride?
The InChIKey is XFJQESPOMXYQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.ClH/c1-10(2)6-7-14-13-8-12(5)16(15-13)9-11(3)4;/h8,10-11H,6-7,9H2,1-5H3,(H,14,15);1H.
What are the key properties of 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride?
5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).